General Information of the Compound
| Compound ID |
CP0805582
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| Compound Name |
2-[2,4-dichloro-3-(2-methylquinolin-8-yloxymethyl)benzenesulfonylamino]-2-methyl-N-{3-[(pyridin-2-ylmethyl)amino]-propyl}propionamide
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| Structure |
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| Formula |
C30H33Cl2N5O4S
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| Molecular Weight |
630.598
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| Canonical SMILES |
Cc1ccc2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC(C)(C)C(=O)NCCCNCc4ccccn4)c3Cl)c2n1
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| InChI |
InChI=1S/C30H33Cl2N5O4S/c1-20-11-12-21-8-6-10-25(28(21)36-20)41-19-23-24(31)13-14-26(27(23)32)42(39,40)37-30(2,3)29(38)35-17-7-15-33-18-22-9-4-5-16-34-22/h4-6,8-14,16,33,37H,7,15,17-19H2,1-3H3,(H,35,38)
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| InChIKey |
QCJSFOHJUMDOLY-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