Way-163909
PubChem CID: 10130594
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| Compound Synonyms | WAY-163909, 428868-32-0, WAY163909, WAY 163909, MN9LW8268N, (7bR,10aR)-2,3,4,7b,8,9,10,10a-Octahydro-1H-cyclopenta[b][1,4]diazepino[6,7,1-hi]indole, WAY-163,909, UNII-MN9LW8268N, CHEMBL1628670, DTXSID40436021, (11R,15R)-7,10-diazatetracyclo[8.5.1.0^{5,16}.0^{11,15}]hexadeca-1,3,5(16)-triene, (7bR,10aR)-2,3,4,7b,8,9,10,10a-Octahydro-1H-cyclopenta(b)(1,4)diazepino(6,7,1-hi)indole, (7bR,10aR)-1,2,3,4,7a,9,10,10a-Octahydro-8H-cyclopenta(4,5)pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 8H-Cyclopenta(4,5)pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 1,2,3,4,7a,9,10,10a-octahydro-, (7bR,10aR)-, (11R,15R)-7,10-Diazatetracyclo[8.5.1.05,16.011,15]hexadeca-1,3,5(16)-triene, (11R,15R)-7,10-diazatetracyclo(8.5.1.05,16.011,15)hexadeca-1,3,5(16)-triene, (11R,15R)-7,10-diazatetracyclo(8.5.1.0^(5,16).0^(11,15))hexadeca-1,3,5(16)-triene, GTPL229, SCHEMBL4352287, DTXCID10386847, GLXC-04288, BDBM50076245, AKOS016004084, HY-15401, DB-336157, CS-0006248, Q27089215, (7bR, 10aR)-1,2,3,4,8,9,10,10a-octahydro-7bH-cyclopenta-[b][1,4]diazepino[6,7,1hi]indole, (7bR,10aR)-1,2,3,4,7b,9,10,10a-octahydro-8H-cyclopenta[b][1,4]diazepino[6,7,1-hi]indole, (7bR,10aR)-1,2,3,4,8,9,10,10a-octahydro-7bH-cyclopenta-[b][1,4]diazepino[6,7,1hi]indole |
|---|---|
| Topological Polar Surface Area | 15.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 278.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (11R,15R)-7,10-diazatetracyclo[8.5.1.05,16.011,15]hexadeca-1,3,5(16)-triene |
| Prediction Hob | 1.0 |
| Target Id | NPT292 |
| Xlogp | 1.9 |
| Molecular Formula | C14H18N2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XOSKJKGKWRIMGV-DGCLKSJQSA-N |
| Fcsp3 | 0.5714285714285714 |
| Logs | -2.682 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.609 |
| Compound Name | Way-163909 |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 214.147 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 214.147 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 214.31 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.6621344000000002 |
| Inchi | InChI=1S/C14H18N2/c1-3-10-9-15-7-8-16-13-6-2-4-11(13)12(5-1)14(10)16/h1,3,5,11,13,15H,2,4,6-9H2/t11-,13-/m1/s1 |
| Smiles | C1C[C@H]2[C@@H](C1)N3CCNCC4=C3C2=CC=C4 |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cannabis Sativa (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Piper Longum (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Piper Nigrum (Plant) Rel Props:Source_db:cmaup_ingredients