General Information of the Compound
| Compound ID |
CP0855223
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| Compound Name |
2-[2,4-dichloro-3-(2-methylquinolin-8-yloxymethyl)benzenesulfonylamino]-N-[3-(4-hydroxybenzylamino)propyl]-2-methylpropionamide
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| Structure |
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| Formula |
C31H34Cl2N4O5S
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| Molecular Weight |
645.609
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| Canonical SMILES |
Cc1ccc2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC(C)(C)C(=O)NCCCNCc4ccc(O)cc4)c3Cl)c2n1
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| InChI |
InChI=1S/C31H34Cl2N4O5S/c1-20-8-11-22-6-4-7-26(29(22)36-20)42-19-24-25(32)14-15-27(28(24)33)43(40,41)37-31(2,3)30(39)35-17-5-16-34-18-21-9-12-23(38)13-10-21/h4,6-15,34,37-38H,5,16-19H2,1-3H3,(H,35,39)
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| InChIKey |
QLPWGEHNTXNVPI-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