| Drug Name |
PMID29671355-Compound-18
|
| Drug Type |
Small molecular drug
|
| Structure |
|
 |
|
3D MOL
|
2D MOL
|
| #Ro5 Violations (Lipinski): 0 |
Molecular Weight (mw) |
320.3 |
|
| Logarithm of the Partition Coefficient (xlogp) |
2.4 |
| Rotatable Bond Count (rotbonds) |
5 |
| Hydrogen Bond Donor Count (hbonddonor) |
2 |
| Hydrogen Bond Acceptor Count (hbondacc) |
5 |
| Chemical Identifiers |
- Formula
- C18H16N4O2
- IUPAC Name
4-[(dipyridin-2-ylamino)methyl]-N-hydroxybenzamide - Canonical SMILES
-
C1=CC=NC(=C1)N(CC2=CC=C(C=C2)C(=O)NO)C3=CC=CC=N3
- InChI
-
InChI=1S/C18H16N4O2/c23-18(21-24)15-9-7-14(8-10-15)13-22(16-5-1-3-11-19-16)17-6-2-4-12-20-17/h1-12,24H,13H2,(H,21,23)
- InChIKey
-
FWQCLQYFYHSYHY-UHFFFAOYSA-N
|
| Cross-matching ID |
- PubChem CID
- 86302675
- TTD ID
- D0TN6E
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