General Information of the Compound
| Compound ID |
CP0535862
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| Compound Name |
2-[1-[(3,5-dichlorophenyl)sulfonyl-methylamino]-2-methylpropyl]-5-(naphthalen-2-ylmethyl)-1H-imidazole-4-carboxylic acid
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| Structure |
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| Formula |
C26H25Cl2N3O4S
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| Molecular Weight |
546.476
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| Canonical SMILES |
CC(C)C(N(C)S(=O)(=O)c1cc(Cl)cc(Cl)c1)c1nc(C(O)=O)c(Cc2ccc3ccccc3c2)[nH]1
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| InChI |
InChI=1S/C26H25Cl2N3O4S/c1-15(2)24(31(3)36(34,35)21-13-19(27)12-20(28)14-21)25-29-22(23(30-25)26(32)33)11-16-8-9-17-6-4-5-7-18(17)10-16/h4-10,12-15,24H,11H2,1-3H3,(H,29,30)(H,32,33)
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| InChIKey |
PKLXUXOLWGFFOC-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