General Information of the Compound
| Compound ID |
CP0471985
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| Compound Name |
3-(4-chloro-3-((N-methylcyclohexanesulfonamido)methyl)phenyl)-3-(1-methyl-1H-benzo[d][1,2,3]triazol-5-yl)propanoic acid
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| Structure |
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| Formula |
C24H29ClN4O4S
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| Molecular Weight |
505.04
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| Canonical SMILES |
CN(Cc1cc(ccc1Cl)C(CC(O)=O)c1ccc2n(C)nnc2c1)S(=O)(=O)C1CCCCC1
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| InChI |
InChI=1S/C24H29ClN4O4S/c1-28(34(32,33)19-6-4-3-5-7-19)15-18-12-16(8-10-21(18)25)20(14-24(30)31)17-9-11-23-22(13-17)26-27-29(23)2/h8-13,19-20H,3-7,14-15H2,1-2H3,(H,30,31)
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| InChIKey |
FFAANKRCKMNWSX-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