Biscryptolepine
PubChem CID: 10457065
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| Compound Synonyms | biscryptolepine, 5-methyl-11-(5-methylindolo(3,2-b)quinolin-11-yl)indolo(3,2-b)quinoline, 5-methyl-11-(5-methylindolo[3,2-b]quinolin-11-yl)indolo[3,2-b]quinoline, CHEMBL518720, 175178-79-7 |
|---|---|
| Topological Polar Surface Area | 35.6 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 36.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 750.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-methyl-11-(5-methylindolo[3,2-b]quinolin-11-yl)indolo[3,2-b]quinoline |
| Prediction Hob | 0.0 |
| Xlogp | 6.4 |
| Molecular Formula | C32H22N4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GPXBTNAIIIXHOX-UHFFFAOYSA-N |
| Fcsp3 | 0.0625 |
| Logs | -8.669 |
| Rotatable Bond Count | 1.0 |
| Logd | 5.159 |
| Compound Name | Biscryptolepine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 462.184 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 462.184 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 462.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -7.80743608888889 |
| Inchi | InChI=1S/C32H22N4/c1-35-25-17-9-5-13-21(25)27(29-31(35)19-11-3-7-15-23(19)33-29)28-22-14-6-10-18-26(22)36(2)32-20-12-4-8-16-24(20)34-30(28)32/h3-18H,1-2H3 |
| Smiles | CN1C2=CC=CC=C2C(=C3C1=C4C=CC=CC4=N3)C5=C6C(=C7C=CC=CC7=N6)N(C8=CC=CC=C85)C |
| Nring | 8.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ambrosia Maritima (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Erysimum Diffusum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Wisteria Brachybotrys (Plant) Rel Props:Source_db:npass_chem_all