| Drug Name |
US9132129, Cpd023
|
| Synonyms |
SCHEMBL6122208; CHEMBL3941519; MNMDSGXKGOEYSF-UHFFFAOYSA-N; BDBM179842; US9132129, Cpd023; 2-(3-methyl-1-p-tolyl-8,9-dihydro-7H-cyclopenta[f]quinolin-2-yl)pentanoic acid; 2-[3-methyl-1-(p-tolyl)-8,9-dihydro-7H-cyclopenta[f]quinolin-2-yl]pentanoic acid
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| Drug Type |
Small molecular drug
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| Structure |
|
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|
3D MOL
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2D MOL
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| #Ro5 Violations (Lipinski): 1 |
Molecular Weight (mw) |
373.5 |
|
| Logarithm of the Partition Coefficient (xlogp) |
6.3 |
| Rotatable Bond Count (rotbonds) |
5 |
| Hydrogen Bond Donor Count (hbonddonor) |
1 |
| Hydrogen Bond Acceptor Count (hbondacc) |
3 |
| Chemical Identifiers |
- Formula
- C25H27NO2
- IUPAC Name
2-[3-methyl-1-(4-methylphenyl)-8,9-dihydro-7H-cyclopenta[f]quinolin-2-yl]pentanoic acid - Canonical SMILES
-
CCCC(C1=C(N=C2C=CC3=C(C2=C1C4=CC=C(C=C4)C)CCC3)C)C(=O)O
- InChI
-
InChI=1S/C25H27NO2/c1-4-6-20(25(27)28)22-16(3)26-21-14-13-17-7-5-8-19(17)24(21)23(22)18-11-9-15(2)10-12-18/h9-14,20H,4-8H2,1-3H3,(H,27,28)
- InChIKey
-
MNMDSGXKGOEYSF-UHFFFAOYSA-N
|
| Cross-matching ID |
- PubChem CID
- 69673439
- TTD ID
- D08LBW
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