| Drug Name |
US8710232, 7
|
| Synonyms |
SCHEMBL4947561; CHEMBL3694267; IQZKZQSOVLMDRA-UHFFFAOYSA-N; BDBM120782; US8710232, 7; 3-(6-Aminopyridin-3-yl)-2-(1-cyclopentyl-1H-imidazol-4-yl)propionic acid |
| Drug Type |
Small molecular drug
|
| Structure |
|
 |
|
3D MOL
|
2D MOL
|
| #Ro5 Violations (Lipinski): 0 |
Molecular Weight (mw) |
300.36 |
|
| Logarithm of the Partition Coefficient (xlogp) |
1.3 |
| Rotatable Bond Count (rotbonds) |
5 |
| Hydrogen Bond Donor Count (hbonddonor) |
2 |
| Hydrogen Bond Acceptor Count (hbondacc) |
5 |
| Chemical Identifiers |
- Formula
- C16H20N4O2
- IUPAC Name
3-(6-aminopyridin-3-yl)-2-(1-cyclopentylimidazol-4-yl)propanoic acid - Canonical SMILES
-
C1CCC(C1)N2C=C(N=C2)C(CC3=CN=C(C=C3)N)C(=O)O
- InChI
-
InChI=1S/C16H20N4O2/c17-15-6-5-11(8-18-15)7-13(16(21)22)14-9-20(10-19-14)12-3-1-2-4-12/h5-6,8-10,12-13H,1-4,7H2,(H2,17,18)(H,21,22)
- InChIKey
-
IQZKZQSOVLMDRA-UHFFFAOYSA-N
|
| Cross-matching ID |
- PubChem CID
- 69252172
- TTD ID
- D0YI7A
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