General Information of the Compound
| Compound ID |
CP0494404
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| Compound Name |
3-(2-bromophenyl)-3-[(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)amino]propanoic acid
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| Structure |
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| Formula |
C20H17BrClN3O3
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| Molecular Weight |
462.731
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| Canonical SMILES |
Cc1nn(c(Cl)c1C(=O)NC(CC(O)=O)c1ccccc1Br)-c1ccccc1
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| InChI |
InChI=1S/C20H17BrClN3O3/c1-12-18(19(22)25(24-12)13-7-3-2-4-8-13)20(28)23-16(11-17(26)27)14-9-5-6-10-15(14)21/h2-10,16H,11H2,1H3,(H,23,28)(H,26,27)
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| InChIKey |
PIFQQJXMIZARQP-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