Drug Name |
PMID28870136-Compound-63
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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) |
330.4 |
|
Logarithm of the Partition Coefficient (xlogp) |
3.1 |
Rotatable Bond Count (rotbonds) |
4 |
Hydrogen Bond Donor Count (hbonddonor) |
0 |
Hydrogen Bond Acceptor Count (hbondacc) |
3 |
Chemical Identifiers |
- Formula
- C20H18N4O
- IUPAC Name
6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-2-propylpyridazin-3-one
- Canonical SMILES
-
CCCN1C(=O)C=CC(=N1)C2=C3C=CC=CN3N=C2C4=CC=CC=C4
- InChI
-
InChI=1S/C20H18N4O/c1-2-13-24-18(25)12-11-16(21-24)19-17-10-6-7-14-23(17)22-20(19)15-8-4-3-5-9-15/h3-12,14H,2,13H2,1H3
- InChIKey
-
ATTQDJZYFIDUQX-UHFFFAOYSA-N
|
Cross-matching ID |
- PubChem CID
- 10544406
- TTD ID
- D0Y9TP
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