General Information of the Compound
| Compound ID |
CP0794016
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| Compound Name |
2,4-dichloro-N-{1,1-dimethyl-2-oxo-2-[4-(2-piperazin-1-ylacetyl)piperazin-1-yl]ethyl}-3-(2-methylquinolin-8-yloxymethyl)benzenesulfonamide
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| Structure |
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| Formula |
C31H38Cl2N6O5S
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| Molecular Weight |
677.655
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| Canonical SMILES |
Cc1ccc2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC(C)(C)C(=O)N4CCN(C(=O)CN5CCNCC5)CC4)c3Cl)c2n1
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| InChI |
InChI=1S/C31H38Cl2N6O5S/c1-21-7-8-22-5-4-6-25(29(22)35-21)44-20-23-24(32)9-10-26(28(23)33)45(42,43)36-31(2,3)30(41)39-17-15-38(16-18-39)27(40)19-37-13-11-34-12-14-37/h4-10,34,36H,11-20H2,1-3H3
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| InChIKey |
JERJSCDMQAAUEA-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