Drug Name |
PMID28092474-Compound-33j
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Drug Type |
Small molecular drug
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Structure |
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3D MOL
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2D MOL
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#Ro5 Violations (Lipinski): 0 |
Molecular Weight (mw) |
340.31 |
|
Logarithm of the Partition Coefficient (xlogp) |
0.4 |
Rotatable Bond Count (rotbonds) |
5 |
Hydrogen Bond Donor Count (hbonddonor) |
2 |
Hydrogen Bond Acceptor Count (hbondacc) |
8 |
Chemical Identifiers |
- Formula
- C16H13FN6O2
- IUPAC Name
3-fluoro-N-hydroxy-4-[[pyrazin-2-yl(pyridazin-3-yl)amino]methyl]benzamide
- Canonical SMILES
-
C1=CC(=NN=C1)N(CC2=C(C=C(C=C2)C(=O)NO)F)C3=NC=CN=C3
- InChI
-
InChI=1S/C16H13FN6O2/c17-13-8-11(16(24)22-25)3-4-12(13)10-23(14-2-1-5-20-21-14)15-9-18-6-7-19-15/h1-9,25H,10H2,(H,22,24)
- InChIKey
-
JRLWVTOAMRASSS-UHFFFAOYSA-N
|
Cross-matching ID |
- PubChem CID
- 117703439
- TTD ID
- D08GQL
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