General Information of the Compound
| Compound ID |
CP0568759
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| Compound Name |
S-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-sulfanylideneethyl] 4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-2-methyl-5-propan-2-yloxyphenyl]piperidine-1-carbothioate
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| Structure |
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| Formula |
C35H45ClN6O6S4
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| Molecular Weight |
809.502
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| Canonical SMILES |
CC(C)Oc1cc(C2CCN(CC2)C(=O)SCC(=S)N2CCS(=O)(=O)CC2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
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| InChI |
InChI=1S/C35H45ClN6O6S4/c1-22(2)48-30-19-26(25-10-12-42(13-11-25)35(43)50-21-32(49)41-14-16-51(44,45)17-15-41)24(5)18-29(30)39-34-37-20-27(36)33(40-34)38-28-8-6-7-9-31(28)52(46,47)23(3)4/h6-9,18-20,22-23,25H,10-17,21H2,1-5H3,(H2,37,38,39,40)
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| InChIKey |
WWRGYSJZOYOGMN-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