Drug Name |
PMID28870136-Compound-60
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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) |
344.4 |
|
Logarithm of the Partition Coefficient (xlogp) |
2 |
Rotatable Bond Count (rotbonds) |
4 |
Hydrogen Bond Donor Count (hbonddonor) |
0 |
Hydrogen Bond Acceptor Count (hbondacc) |
4 |
Chemical Identifiers |
- Formula
- C20H16N4O2
- IUPAC Name
2-(2-oxopropyl)-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one
- Canonical SMILES
-
CC(=O)CN1C(=O)C=CC(=N1)C2=C3C=CC=CN3N=C2C4=CC=CC=C4
- InChI
-
InChI=1S/C20H16N4O2/c1-14(25)13-24-18(26)11-10-16(21-24)19-17-9-5-6-12-23(17)22-20(19)15-7-3-2-4-8-15/h2-12H,13H2,1H3
- InChIKey
-
QATXIDMQXCGKIY-UHFFFAOYSA-N
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Cross-matching ID |
- PubChem CID
- 11110698
- TTD ID
- D0MA9U
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