General Information of the Compound
| Compound ID |
CP0714601
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| Compound Name |
N-(2-azepan-1-yl-1,1-dimethyl-2-oxoethyl)-2,4-dichloro-3-(2-methylquinolin-8-yloxymethyl)benzenesulfonamide
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| Structure |
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| Formula |
C27H32Cl2N4O4S
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| Molecular Weight |
579.55
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| Canonical SMILES |
Cc1ccc2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC(C)(C)C(=O)N4CCCNCCC4)c3Cl)c2n1
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| InChI |
InChI=1S/C27H32Cl2N4O4S/c1-18-9-10-19-7-4-8-22(25(19)31-18)37-17-20-21(28)11-12-23(24(20)29)38(35,36)32-27(2,3)26(34)33-15-5-13-30-14-6-16-33/h4,7-12,30,32H,5-6,13-17H2,1-3H3
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| InChIKey |
DVUCSKRABMDWDA-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