| Drug Name |
US20160326143, 50
|
| Synonyms |
SCHEMBL18205873; CHEMBL3894959; BDBM223275; US20160326143, 50; 2-(4-((Cyclopropylmethyl)(3,4-dimethylphenyl)amino)-2-methoxybenzoyl)cyclopropanecarboxylic acid |
| Drug Type |
Small molecular drug
|
| Structure |
|
 |
|
3D MOL
|
2D MOL
|
| #Ro5 Violations (Lipinski): 0 |
Molecular Weight (mw) |
393.5 |
|
| Logarithm of the Partition Coefficient (xlogp) |
4.4 |
| Rotatable Bond Count (rotbonds) |
8 |
| Hydrogen Bond Donor Count (hbonddonor) |
1 |
| Hydrogen Bond Acceptor Count (hbondacc) |
5 |
| Chemical Identifiers |
- Formula
- C24H27NO4
- IUPAC Name
2-[4-[N-(cyclopropylmethyl)-3,4-dimethylanilino]-2-methoxybenzoyl]cyclopropane-1-carboxylic acid - Canonical SMILES
-
CC1=C(C=C(C=C1)N(CC2CC2)C3=CC(=C(C=C3)C(=O)C4CC4C(=O)O)OC)C
- InChI
-
InChI=1S/C24H27NO4/c1-14-4-7-17(10-15(14)2)25(13-16-5-6-16)18-8-9-19(22(11-18)29-3)23(26)20-12-21(20)24(27)28/h4,7-11,16,20-21H,5-6,12-13H2,1-3H3,(H,27,28)
- InChIKey
-
HYAQXBPDSJIQND-UHFFFAOYSA-N
|
| Cross-matching ID |
- PubChem CID
- 122670126
- TTD ID
- D08NHT
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