General Information of the Compound
| Compound ID |
CP0714600
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| Compound Name |
2,4-dichloro-N-(2-[1,4]diazepan-1-yl-1,1-dimethyl-2-oxoethyl)-3-(2-methylquinolin-8-yloxymethyl)benzenesulfonamide
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| Structure |
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| Formula |
C26H30Cl2N4O4S
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| Molecular Weight |
565.523
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| Canonical SMILES |
Cc1ccc2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC(C)(C)C(=O)N4CCCNCC4)c3Cl)c2n1
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| InChI |
InChI=1S/C26H30Cl2N4O4S/c1-17-8-9-18-6-4-7-21(24(18)30-17)36-16-19-20(27)10-11-22(23(19)28)37(34,35)31-26(2,3)25(33)32-14-5-12-29-13-15-32/h4,6-11,29,31H,5,12-16H2,1-3H3
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| InChIKey |
GHQRAUZTCJOECF-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