General Information of the Compound
| Compound ID |
CP0682476
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| Compound Name |
[(S)-4-amino-1-(4-{1-[2,4-dichloro-3-(2,4-dimethyl-quinolin-8-yloxymethyl)-benzenesulfonylamino]-cyclopentanecarbonyl}-piperazine-1-carbonyl)-butyl]-trimethyl-ammonium
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| Structure |
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| Formula |
C36H49Cl2N6O5S+
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| Molecular Weight |
748.798
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| Canonical SMILES |
Cc1cc(C)c2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC4(C(=O)N5CCN(C(=O)[C@H](CCCN)[N+](C)(C)C)CC5)CCCC4)c3Cl)c2n1
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| InChI |
InChI=1S/C36H49Cl2N6O5S/c1-24-22-25(2)40-33-26(24)10-8-12-30(33)49-23-27-28(37)13-14-31(32(27)38)50(47,48)41-36(15-6-7-16-36)35(46)43-20-18-42(19-21-43)34(45)29(11-9-17-39)44(3,4)5/h8,10,12-14,22,29,41H,6-7,9,11,15-21,23,39H2,1-5H3/q+1/t29-/m0/s1
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| InChIKey |
YNRYMESMEWCAES-LJAQVGFWSA-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