| Drug Name |
PMID25522065-Compound-49
|
| Drug Type |
Small molecular drug
|
| Structure |
|
 |
|
3D MOL
|
2D MOL
|
| #Ro5 Violations (Lipinski): 1 |
Molecular Weight (mw) |
415.9 |
|
| Logarithm of the Partition Coefficient (xlogp) |
5.3 |
| Rotatable Bond Count (rotbonds) |
3 |
| Hydrogen Bond Donor Count (hbonddonor) |
0 |
| Hydrogen Bond Acceptor Count (hbondacc) |
3 |
| Chemical Identifiers |
- Formula
- C24H18ClN3O2
- IUPAC Name
2-(4-chlorophenyl)-5-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)furo[3,2-c]pyridin-4-one - Canonical SMILES
-
CC1=C(N=C2N1C=C(C=C2)N3C=CC4=C(C3=O)C=C(O4)C5=CC=C(C=C5)Cl)C6CC6
- InChI
-
InChI=1S/C24H18ClN3O2/c1-14-23(16-2-3-16)26-22-9-8-18(13-28(14)22)27-11-10-20-19(24(27)29)12-21(30-20)15-4-6-17(25)7-5-15/h4-13,16H,2-3H2,1H3
- InChIKey
-
FBRSISPMXWGFQN-UHFFFAOYSA-N
|
| Cross-matching ID |
- PubChem CID
- 71816518
- TTD ID
- D0MT7T
|
|
|
|
|
|
|
|
