General Information of the Compound
| Compound ID |
CP0871079
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| Compound Name |
N-{1-[4-((S)-2-amino-6-dimethylamino-hexanoyl)-piperazine-1-carbonyl]-cyclopentyl}-2,4-dichloro-3-(2,4-dimethyl-quinolin-8-yloxymethyl)-benzenesulfonamide
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| Structure |
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| Formula |
C36H48Cl2N6O5S
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| Molecular Weight |
747.79
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| Canonical SMILES |
Cc1cc(C)c2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC4(C(=O)N5CCN(C(=O)[C@@H](N)CCCCN(C)C)CC5)CCCC4)c3Cl)c2n1
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| InChI |
InChI=1S/C36H48Cl2N6O5S/c1-24-22-25(2)40-33-26(24)10-9-12-30(33)49-23-27-28(37)13-14-31(32(27)38)50(47,48)41-36(15-6-7-16-36)35(46)44-20-18-43(19-21-44)34(45)29(39)11-5-8-17-42(3)4/h9-10,12-14,22,29,41H,5-8,11,15-21,23,39H2,1-4H3/t29-/m0/s1
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| InChIKey |
TVKOKXCMTWXQGJ-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