Drug Name |
PMID29671355-Compound-45a
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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) |
337.3 |
|
Logarithm of the Partition Coefficient (xlogp) |
2.7 |
Rotatable Bond Count (rotbonds) |
4 |
Hydrogen Bond Donor Count (hbonddonor) |
2 |
Hydrogen Bond Acceptor Count (hbondacc) |
5 |
Chemical Identifiers |
- Formula
- C19H16FN3O2
- IUPAC Name
2-(2-fluorophenyl)-N-hydroxy-2-[4-(2-methylpyrimidin-5-yl)phenyl]acetamide
- Canonical SMILES
-
CC1=NC=C(C=N1)C2=CC=C(C=C2)C(C3=CC=CC=C3F)C(=O)NO
- InChI
-
InChI=1S/C19H16FN3O2/c1-12-21-10-15(11-22-12)13-6-8-14(9-7-13)18(19(24)23-25)16-4-2-3-5-17(16)20/h2-11,18,25H,1H3,(H,23,24)
- InChIKey
-
SFXMVIQZYOMYOF-UHFFFAOYSA-N
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Cross-matching ID |
- PubChem CID
- 86302836
- TTD ID
- D0YN2T
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