General Information of the Compound
| Compound ID |
CP0655986
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| Compound Name |
2N-[3-(4-chlorobenzylamino)propyl]-2-[2,4-dichloro-3-(2-methylquinolin-8-yloxymethyl)benzenesulfonylamino]-2-methylpropionamide
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| Structure |
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| Formula |
C31H33Cl3N4O4S
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| Molecular Weight |
664.055
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| Canonical SMILES |
Cc1ccc2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC(C)(C)C(=O)NCCCNCc4ccc(Cl)cc4)c3Cl)c2n1
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| InChI |
InChI=1S/C31H33Cl3N4O4S/c1-20-8-11-22-6-4-7-26(29(22)37-20)42-19-24-25(33)14-15-27(28(24)34)43(40,41)38-31(2,3)30(39)36-17-5-16-35-18-21-9-12-23(32)13-10-21/h4,6-15,35,38H,5,16-19H2,1-3H3,(H,36,39)
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| InChIKey |
PLOQALCOMRVEGB-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