Drug Name |
Bicyclic heteroaryl carboxamide analog 3
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Synonyms |
PMID28067079-Compound-114 |
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) |
397.4 |
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Logarithm of the Partition Coefficient (xlogp) |
3.2 |
Rotatable Bond Count (rotbonds) |
4 |
Hydrogen Bond Donor Count (hbonddonor) |
1 |
Hydrogen Bond Acceptor Count (hbondacc) |
8 |
Chemical Identifiers |
- Formula
- C19H13F2N5OS
- IUPAC Name
6-[difluoro(pyrimidin-5-yl)methyl]-N-(4-methyl-1,3-thiazol-2-yl)quinoline-8-carboxamide
- Canonical SMILES
-
CC1=CSC(=N1)NC(=O)C2=C3C(=CC(=C2)C(C4=CN=CN=C4)(F)F)C=CC=N3
- InChI
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InChI=1S/C19H13F2N5OS/c1-11-9-28-18(25-11)26-17(27)15-6-13(5-12-3-2-4-24-16(12)15)19(20,21)14-7-22-10-23-8-14/h2-10H,1H3,(H,25,26,27)
- InChIKey
-
WMANVHZDYKNLDT-UHFFFAOYSA-N
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Cross-matching ID |
- PubChem CID
- 91886057
- TTD ID
- D0N6HP
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