General Information of the Compound
| Compound ID |
CP0711137
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| Compound Name |
{3-[(4-{1-[2,4-dichloro-3-(2,4-dimethyl-quinolin-8-yloxymethyl)-benzenesulfonylamino]-cyclopentanecarbonyl}-piperazine-1-carboximidoyl)-amino]-propyl}-trimethyl-ammonium
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| Structure |
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| Formula |
C35H48Cl2N7O4S+
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| Molecular Weight |
733.787
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| Canonical SMILES |
Cc1cc(C)c2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC4(C(=O)N5CCN(C(=N)NCCC[N+](C)(C)C)CC5)CCCC4)c3Cl)c2n1
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| InChI |
InChI=1S/C35H48Cl2N7O4S/c1-24-22-25(2)40-32-26(24)10-8-11-29(32)48-23-27-28(36)12-13-30(31(27)37)49(46,47)41-35(14-6-7-15-35)33(45)42-17-19-43(20-18-42)34(38)39-16-9-21-44(3,4)5/h8,10-13,22,41H,6-7,9,14-21,23H2,1-5H3,(H2,38,39)/q+1
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| InChIKey |
OXBPIRJBTBFPSO-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