General Information of the Compound
| Compound ID |
CP0829540
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| Compound Name |
[5-(4-{1-[2,4-dichloro-3-(2,4-dimethyl-quinolin-8-yloxymethyl)-benzenesulfonylamino]-cyclopentanecarbonyl}-piperazin-1-yl)-5-oxo-pentyl]-trimethyl-ammonium
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| Structure |
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| Formula |
C36H48Cl2N5O5S+
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| Molecular Weight |
733.783
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| Canonical SMILES |
Cc1cc(C)c2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC4(C(=O)N5CCN(C(=O)CCCC[N+](C)(C)C)CC5)CCCC4)c3Cl)c2n1
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| InChI |
InChI=1S/C36H48Cl2N5O5S/c1-25-23-26(2)39-34-27(25)11-10-12-30(34)48-24-28-29(37)14-15-31(33(28)38)49(46,47)40-36(16-7-8-17-36)35(45)42-20-18-41(19-21-42)32(44)13-6-9-22-43(3,4)5/h10-12,14-15,23,40H,6-9,13,16-22,24H2,1-5H3/q+1
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| InChIKey |
AVCCDSXROVKBCO-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