General Information of the Compound
| Compound ID |
CP0439756
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| Compound Name |
4-bromo-5-[(2-chlorobenzoyl)amino]-N-4-pyridinyl-1H-pyrazole-3-carboxamide
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| Structure |
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| Formula |
C16H11BrClN5O2
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| Molecular Weight |
420.654
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| Canonical SMILES |
Clc1ccccc1C(=O)Nc1[nH]nc(C(=O)Nc2ccncc2)c1Br
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| InChI |
InChI=1S/C16H11BrClN5O2/c17-12-13(16(25)20-9-5-7-19-8-6-9)22-23-14(12)21-15(24)10-3-1-2-4-11(10)18/h1-8H,(H,19,20,25)(H2,21,22,23,24)
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| InChIKey |
JNJVTOBXNJQOIB-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