| Drug Name |
US20160326143, 28
|
| Synonyms |
CHEMBL3898699; SCHEMBL18205901; BDBM223253; US20160326143, 28; 2-(5-((Cyclopropylmethyl)(2,3-dimethylbenzyl)amino)-3-methoxypicolinoyl)cyclopropanecarboxylic acid |
| Drug Type |
Small molecular drug
|
| Structure |
|
 |
|
3D MOL
|
2D MOL
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| #Ro5 Violations (Lipinski): 0 |
Molecular Weight (mw) |
408.5 |
|
| Logarithm of the Partition Coefficient (xlogp) |
3.6 |
| Rotatable Bond Count (rotbonds) |
9 |
| Hydrogen Bond Donor Count (hbonddonor) |
1 |
| Hydrogen Bond Acceptor Count (hbondacc) |
6 |
| Chemical Identifiers |
- Formula
- C24H28N2O4
- IUPAC Name
2-[5-[cyclopropylmethyl-[(2,3-dimethylphenyl)methyl]amino]-3-methoxypyridine-2-carbonyl]cyclopropane-1-carboxylic acid - Canonical SMILES
-
CC1=C(C(=CC=C1)CN(CC2CC2)C3=CC(=C(N=C3)C(=O)C4CC4C(=O)O)OC)C
- InChI
-
InChI=1S/C24H28N2O4/c1-14-5-4-6-17(15(14)2)13-26(12-16-7-8-16)18-9-21(30-3)22(25-11-18)23(27)19-10-20(19)24(28)29/h4-6,9,11,16,19-20H,7-8,10,12-13H2,1-3H3,(H,28,29)
- InChIKey
-
LRXJWJPKMGAWTD-UHFFFAOYSA-N
|
| Cross-matching ID |
- PubChem CID
- 122670152
- TTD ID
- D0CT4T
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