General Information of the Compound
| Compound ID |
CP0708285
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| Compound Name |
2-[2,4-dichloro-3-(2-methylquinolin-8-yloxymethyl)benzenesulfonylamino]-N-{3-[(furan-3-ylmethyl)amino]propyl}-2-methylpropionamide
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| Structure |
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| Formula |
C29H32Cl2N4O5S
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| Molecular Weight |
619.571
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| Canonical SMILES |
Cc1ccc2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC(C)(C)C(=O)NCCCNCc4ccoc4)c3Cl)c2n1
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| InChI |
InChI=1S/C29H32Cl2N4O5S/c1-19-8-9-21-6-4-7-24(27(21)34-19)40-18-22-23(30)10-11-25(26(22)31)41(37,38)35-29(2,3)28(36)33-14-5-13-32-16-20-12-15-39-17-20/h4,6-12,15,17,32,35H,5,13-14,16,18H2,1-3H3,(H,33,36)
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| InChIKey |
QKQSOIOSXUVBIS-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