Drug Name |
PMID25399762-Compound-Table1-C8
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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) |
306.1 |
|
Logarithm of the Partition Coefficient (xlogp) |
4.3 |
Rotatable Bond Count (rotbonds) |
2 |
Hydrogen Bond Donor Count (hbonddonor) |
2 |
Hydrogen Bond Acceptor Count (hbondacc) |
2 |
Chemical Identifiers |
- Formula
- C14H9Cl2N3O
- IUPAC Name
N-(3,5-dichlorophenyl)-1H-indazole-5-carboxamide
- Canonical SMILES
-
C1=CC2=C(C=C1C(=O)NC3=CC(=CC(=C3)Cl)Cl)C=NN2
- InChI
-
InChI=1S/C14H9Cl2N3O/c15-10-4-11(16)6-12(5-10)18-14(20)8-1-2-13-9(3-8)7-17-19-13/h1-7H,(H,17,19)(H,18,20)
- InChIKey
-
XXLZLPDHTLLSMN-UHFFFAOYSA-N
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Cross-matching ID |
- PubChem CID
- 77844662
- TTD ID
- D0GY4F
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