General Information of the Compound
| Compound ID |
CP0794022
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| Compound Name |
2-[2,4-dichloro-3-(2-methylquinolin-8-yloxymethyl)benzenesulfonylamino]-N-{3-[(1H-imidazol-4-ylmethyl)amino]propyl}-2-methylpropionamide
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| Structure |
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| Formula |
C28H32Cl2N6O4S
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| Molecular Weight |
619.575
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| Canonical SMILES |
Cc1ccc2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC(C)(C)C(=O)NCCCNCc4c[nH]cn4)c3Cl)c2n1
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| InChI |
InChI=1S/C28H32Cl2N6O4S/c1-18-8-9-19-6-4-7-23(26(19)35-18)40-16-21-22(29)10-11-24(25(21)30)41(38,39)36-28(2,3)27(37)33-13-5-12-31-14-20-15-32-17-34-20/h4,6-11,15,17,31,36H,5,12-14,16H2,1-3H3,(H,32,34)(H,33,37)
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| InChIKey |
YDFGFQBXRVQTAF-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