| Drug Name |
PMID25522065-Compound-15
|
| Drug Type |
Small molecular drug
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| Structure |
|
 |
|
3D MOL
|
2D MOL
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| #Ro5 Violations (Lipinski): 0 |
Molecular Weight (mw) |
456.9 |
|
| Logarithm of the Partition Coefficient (xlogp) |
4.6 |
| Rotatable Bond Count (rotbonds) |
6 |
| Hydrogen Bond Donor Count (hbonddonor) |
1 |
| Hydrogen Bond Acceptor Count (hbondacc) |
6 |
| Chemical Identifiers |
- Formula
- C23H21ClN2O4S
- IUPAC Name
2-(4-chlorophenyl)-6-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]thieno[2,3-d]pyridazin-7-one - Canonical SMILES
-
CC(C)(COC1=C(C=C(C=C1)N2C(=O)C3=C(C=C(S3)C4=CC=C(C=C4)Cl)C=N2)OC)O
- InChI
-
InChI=1S/C23H21ClN2O4S/c1-23(2,28)13-30-18-9-8-17(11-19(18)29-3)26-22(27)21-15(12-25-26)10-20(31-21)14-4-6-16(24)7-5-14/h4-12,28H,13H2,1-3H3
- InChIKey
-
QOXWOBOEWLTLQE-UHFFFAOYSA-N
|
| Cross-matching ID |
- PubChem CID
- 25117272
- TTD ID
- D0N8CI
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