Lonafarnib
PubChem CID: 148195
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| Compound Synonyms | Lonafarnib, 193275-84-2, Sarasar, Sch 66336, Sch66336, Sch-66336, Zokinvy, lonafarnibum, UNII-IOW153004F, IOW153004F, CHEMBL298734, (+)-4-(2-(4-(11R)-3,10-Dibromo-8-chloro-6,11-dihydro-5H-benzo(5,6)cyclohepta(1,2-b)pyridin-11-yl)-piperidin-1-yl))-2-oxoethyl)-piperidine-1-carboxamide, CHEBI:47097, Lonafarnib [USAN], DTXSID90172927, NSC719467, (R)-4-(2-(4-(3,10-dibromo-8-chloro-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl)piperidin-1-yl)-2-oxoethyl)piperidine-1-carboxamide, 4-[2-[4-(6,15-Dibromo-13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)piperidin-1-yl]-2-oxoethyl]piperidine-1-carboxamide, 4-[2-[4-[(2R)-6,15-dibromo-13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl]piperidin-1-yl]-2-oxoethyl]piperidine-1-carboxamide, 1-Piperidinecarboxamide, 4-(2-(4-((11R-3,10-dibromo-8-chloro-6,11-dihydro-5H-benzo(5,6)cyclohepta(1,2-b)pyridin-11-yl)-1-piperidinyl)-2-oxoethyl)-, 4-(2-{4-[(11R)-3,10-dibromo-8-chloro-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl]piperidin-1-yl}-2-oxoethyl)piperidine-1-carboxamide, SMR004701448, Lonafarnib [USAN:INN], Lonafarnib (SCH66336), 4-(2-(4-(8-Chloro-3,10-dibromo-6,11-dihydro-5H-benzo-(5,6)-cyclohepta(1,2-b)-pyridin-11(R)-yl)-1-piperidinyl)-2-oxo-ethyl)-1-piperidinecarboxamide, 4-(2-(4-((11R)-3,10-dibromo-8-chloro-6,11-dihydro-5H-benzo(5,6)cyclohepta(1,2-b)pyridin-11-yl)piperidin-1-yl)-2-oxoethyl)piperidine-1-carboxamide, Zokinvy (TN), SCH-066336, Lonafarnib (Standard), 1o5m, LONAFARNIB [MI], LONAFARNIB [INN], LONAFARNIB [WHO-DD], SCHEMBL19032, MLS006010423, MLS006011106, Lonafarnib (JAN/USAN/INN), GTPL8024, DTXCID5095418, LONAFARNIB [ORANGE BOOK], Lonafarnib, >=98% (HPLC), BDBM14459, BCP07027, EX-A1630, HY-15136R, s2797, AKOS005145760, CCG-270312, CS-0792, DB06448, FL24924, NSC-719467, NCGC00346707-01, 1-Piperidinecarboxamide, 4-(2-(4-((11R)-3,10-dibromo-8-chloro-6,11-dihydro-5H-benzo(5,6)cyclohepta(1,2-b)pyridin-11-yl)-1-piperidinyl)-2-oxoethyl)-, AC-32661, AS-56182, HY-15136, NS00069646, SW220034-1, C73675, D04768, EN300-18167093, Q3258910, BRD-K41599323-001-02-3, (+)-4-[2-[4-(8-Chloro-3,10-dibromo-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11(R)-yl)-1-piperidin-yl]-2-oxo-ethyl]-1-piperidinecarboxamide, (+)-4[2-[4-(8-Chloro-3,11-dihydro-5H-benzo[5,6] cyclohepta[1,2-b]-pyridin-11(R)-yl-1-piperidinyl]-2-oxo-ethyl]-1-piperidinecarboxamide, 4-(2-{4-[(2R)-6,15-dibromo-13-chloro-4-azatricyclo[9.4.0.0(3),?]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-yl]piperidin-1-yl}-2-oxoethyl)piperidine-1-carboxamide, 4-(2-{4-[(2R)-6,15-dibromo-13-chloro-4-azatricyclo[9.4.0.0,3,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl]piperidin-1-yl}-2-oxoethyl)piperidine-1-carboxamide, 4-(2-{4-[(2R)-6,15-dibromo-13-chloro-4-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-2-yl]piperidin-1-yl}-2-oxoethyl)piperidine-1-carboxamide, 4-[2-[4-[(11R)-3,10-dibromo-8-chloro-6,11-dihydro-5H-benzo[1,2]cyclohepta[2,4-b]pyridin-11-yl]piperidin-1-yl]-2-oxoethyl]piperidine-1-carboxamide, 4-[2-[4-[(11R)-3,10-Dibromo-8-chloro-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl]-1-piperidinyl]-2-oxoethyl]-1-piperidi necarboxamide, Sarasar, Sch 66336 |
|---|---|
| Topological Polar Surface Area | 79.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 36.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 790.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Uniprot Id | P49356, P01112, P49355, P29702, P29702, Q5EAD5, Q8K2I1, n.a., Q5EI73, Q5EI74, P08183, P53609, Q02293, Q04631, P0DTD1 |
| Iupac Name | 4-[2-[4-[(2R)-6,15-dibromo-13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl]piperidin-1-yl]-2-oxoethyl]piperidine-1-carboxamide |
| Prediction Hob | 1.0 |
| Target Id | NPT4054, NPT668 |
| Xlogp | 4.8 |
| Molecular Formula | C27H31Br2ClN4O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DHMTURDWPRKSOA-RUZDIDTESA-N |
| Fcsp3 | 0.5185185185185185 |
| Logs | -6.377 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.812 |
| Compound Name | Lonafarnib |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 638.048 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 636.05 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 638.8 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -7.1761250666666685 |
| Inchi | InChI=1S/C27H31Br2ClN4O2/c28-20-12-19-2-1-18-13-21(30)14-22(29)24(18)25(26(19)32-15-20)17-5-9-33(10-6-17)23(35)11-16-3-7-34(8-4-16)27(31)36/h12-17,25H,1-11H2,(H2,31,36)/t25-/m1/s1 |
| Smiles | C1CN(CCC1CC(=O)N2CCC(CC2)[C@@H]3C4=C(CCC5=C3N=CC(=C5)Br)C=C(C=C4Br)Cl)C(=O)N |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Dichrostachys Cinerea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all