| Drug Name |
Biphenyl carboxamidopropanoic acid derivative 3
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| Synonyms |
PMID25828189-Compound-8 |
| 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): 2 |
Molecular Weight (mw) |
533.4 |
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| Logarithm of the Partition Coefficient (xlogp) |
7.1 |
| Rotatable Bond Count (rotbonds) |
9 |
| Hydrogen Bond Donor Count (hbonddonor) |
3 |
| Hydrogen Bond Acceptor Count (hbondacc) |
4 |
| Chemical Identifiers |
- Formula
- C30H26Cl2N2O3
- IUPAC Name
3-[[4-[5-chloro-2-[1-[4-(4-chlorophenyl)anilino]ethyl]phenyl]benzoyl]amino]propanoic acid - Canonical SMILES
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CC(C1=C(C=C(C=C1)Cl)C2=CC=C(C=C2)C(=O)NCCC(=O)O)NC3=CC=C(C=C3)C4=CC=C(C=C4)Cl
- InChI
-
InChI=1S/C30H26Cl2N2O3/c1-19(34-26-13-8-21(9-14-26)20-6-10-24(31)11-7-20)27-15-12-25(32)18-28(27)22-2-4-23(5-3-22)30(37)33-17-16-29(35)36/h2-15,18-19,34H,16-17H2,1H3,(H,33,37)(H,35,36)
- InChIKey
-
VTPFIFMNWSMPMA-UHFFFAOYSA-N
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| Cross-matching ID |
- PubChem CID
- 71059966
- TTD ID
- D0FS8K
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