General Information of the Compound
| Compound ID |
CP0697683
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| Compound Name |
2-[2,4-dichloro-3-(2-methylquinolin-8-yloxymethyl)benzenesulfonylamino]-N-[3-(4-methanesulfonylbenzylamino)propyl]-2-methylpropionamide
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| Structure |
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| Formula |
C32H36Cl2N4O6S2
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| Molecular Weight |
707.702
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| Canonical SMILES |
Cc1ccc2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC(C)(C)C(=O)NCCCNCc4ccc(S(C)(=O)=O)cc4)c3Cl)c2n1
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| InChI |
InChI=1S/C32H36Cl2N4O6S2/c1-21-9-12-23-7-5-8-27(30(23)37-21)44-20-25-26(33)15-16-28(29(25)34)46(42,43)38-32(2,3)31(39)36-18-6-17-35-19-22-10-13-24(14-11-22)45(4,40)41/h5,7-16,35,38H,6,17-20H2,1-4H3,(H,36,39)
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| InChIKey |
HJSPBXHQJWHFJY-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