General Information of the Compound
| Compound ID |
CP0144481
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| Compound Name |
1-(2-(benzo[d]isoxazol-3-yl)ethyl)-N-(4-chlorophenyl)-1H-pyrazole-5-carboxamide
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| Structure |
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| Formula |
C19H15ClN4O2
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| Molecular Weight |
366.808
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| Canonical SMILES |
Clc1ccc(NC(=O)c2ccnn2CCc2noc3ccccc23)cc1
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| InChI |
InChI=1S/C19H15ClN4O2/c20-13-5-7-14(8-6-13)22-19(25)17-9-11-21-24(17)12-10-16-15-3-1-2-4-18(15)26-23-16/h1-9,11H,10,12H2,(H,22,25)
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| InChIKey |
JNVJONNEWQUJDS-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