General Information of the Compound
| Compound ID |
CP0448151
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| Compound Name |
1-Benzyl-5-methyl-1H-pyrazole-3-carboxylic acid (3,5-dichloro-phenyl)-amide
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| Structure |
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| Formula |
C18H15Cl2N3O
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| Molecular Weight |
360.244
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| Canonical SMILES |
Cc1cc(nn1Cc1ccccc1)C(=O)Nc1cc(Cl)cc(Cl)c1
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| InChI |
InChI=1S/C18H15Cl2N3O/c1-12-7-17(22-23(12)11-13-5-3-2-4-6-13)18(24)21-16-9-14(19)8-15(20)10-16/h2-10H,11H2,1H3,(H,21,24)
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| InChIKey |
VBTJAMHNDYLSCQ-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound