| Drug Name |
PMID28092474-Compound-32r
|
| Drug Type |
Small molecular drug
|
| Structure |
|
 |
|
3D MOL
|
2D MOL
|
| #Ro5 Violations (Lipinski): 0 |
Molecular Weight (mw) |
391.4 |
|
| Logarithm of the Partition Coefficient (xlogp) |
3.1 |
| Rotatable Bond Count (rotbonds) |
5 |
| Hydrogen Bond Donor Count (hbonddonor) |
2 |
| Hydrogen Bond Acceptor Count (hbondacc) |
6 |
| Chemical Identifiers |
- Formula
- C21H18FN5O2
- IUPAC Name
4-[[(5-fluoropyridin-2-yl)-(1-methylbenzimidazol-2-yl)amino]methyl]-N-hydroxybenzamide - Canonical SMILES
-
CN1C2=CC=CC=C2N=C1N(CC3=CC=C(C=C3)C(=O)NO)C4=NC=C(C=C4)F
- InChI
-
InChI=1S/C21H18FN5O2/c1-26-18-5-3-2-4-17(18)24-21(26)27(19-11-10-16(22)12-23-19)13-14-6-8-15(9-7-14)20(28)25-29/h2-12,29H,13H2,1H3,(H,25,28)
- InChIKey
-
DTDCFCPAKQGZSU-UHFFFAOYSA-N
|
| Cross-matching ID |
- PubChem CID
- 86282178
- TTD ID
- D0ET4U
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