General Information of the Compound
| Compound ID |
CP0844040
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| Compound Name |
N-{2-[4-((S)-3-amino-7-(dimethylamino)heptanoyl)piperazin-1-yl]-1,1-dimethyl-2-oxoethyl}-2,4-dichloro-3-(2,4-dimethylquinolin-8-yloxymethyl)benzenesulfonamide
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| Structure |
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| Formula |
C35H48Cl2N6O5S
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| Molecular Weight |
735.779
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| Canonical SMILES |
Cc1cc(C)c2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC(C)(C)C(=O)N4CCN(C(=O)C[C@@H](N)CCCCN(C)C)CC4)c3Cl)c2n1
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| InChI |
InChI=1S/C35H48Cl2N6O5S/c1-23-20-24(2)39-33-26(23)11-9-12-29(33)48-22-27-28(36)13-14-30(32(27)37)49(46,47)40-35(3,4)34(45)43-18-16-42(17-19-43)31(44)21-25(38)10-7-8-15-41(5)6/h9,11-14,20,25,40H,7-8,10,15-19,21-22,38H2,1-6H3/t25-/m0/s1
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| InChIKey |
JPVASVOBUOCTKT-VWLOTQADSA-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