Drug Name |
PMID25656651-Compound-21a
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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) |
472.9 |
|
Logarithm of the Partition Coefficient (xlogp) |
4.5 |
Rotatable Bond Count (rotbonds) |
5 |
Hydrogen Bond Donor Count (hbonddonor) |
3 |
Hydrogen Bond Acceptor Count (hbondacc) |
6 |
Chemical Identifiers |
- Formula
- C25H21ClN6O2
- IUPAC Name
2-chloro-6-methyl-N'-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzoyl]benzohydrazide
- Canonical SMILES
-
CC1=C(C(=CC=C1)Cl)C(=O)NNC(=O)C2=CC(=C(C=C2)C)NC3=NC=CC(=N3)C4=CN=CC=C4
- InChI
-
InChI=1S/C25H21ClN6O2/c1-15-8-9-17(23(33)31-32-24(34)22-16(2)5-3-7-19(22)26)13-21(15)30-25-28-12-10-20(29-25)18-6-4-11-27-14-18/h3-14H,1-2H3,(H,31,33)(H,32,34)(H,28,29,30)
- InChIKey
-
RCYQHUIWHIZRQI-UHFFFAOYSA-N
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Cross-matching ID |
- PubChem CID
- 44225624
- TTD ID
- D0D3FB
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