General Information of the Compound
| Compound ID |
CP0794023
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| Compound Name |
2-[2,4-dichloro-3-(2-methylquinolin-8-yloxymethyl)benzenesulfonylamino]-2-methyl-N-[3-(4-methylbenzylamino)propyl]-propionamide
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| Structure |
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| Formula |
C32H36Cl2N4O4S
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| Molecular Weight |
643.637
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| Canonical SMILES |
Cc1ccc(CNCCCNC(=O)C(C)(C)NS(=O)(=O)c2ccc(Cl)c(COc3cccc4ccc(C)nc34)c2Cl)cc1
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| InChI |
InChI=1S/C32H36Cl2N4O4S/c1-21-9-12-23(13-10-21)19-35-17-6-18-36-31(39)32(3,4)38-43(40,41)28-16-15-26(33)25(29(28)34)20-42-27-8-5-7-24-14-11-22(2)37-30(24)27/h5,7-16,35,38H,6,17-20H2,1-4H3,(H,36,39)
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| InChIKey |
HZWNAVFBLNYHDU-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