General Information of the Compound
| Compound ID |
CP0551756
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| Compound Name |
3-(diethylamino)propyl 4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-2-methyl-5-propan-2-yloxyphenyl]piperidine-1-carbodithioate
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| Structure |
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| Formula |
C36H51ClN6O3S3
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| Molecular Weight |
747.497
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| Canonical SMILES |
CCN(CC)CCCSC(=S)N1CCC(CC1)c1cc(OC(C)C)c(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)cc1C
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| InChI |
InChI=1S/C36H51ClN6O3S3/c1-8-42(9-2)17-12-20-48-36(47)43-18-15-27(16-19-43)28-22-32(46-24(3)4)31(21-26(28)7)40-35-38-23-29(37)34(41-35)39-30-13-10-11-14-33(30)49(44,45)25(5)6/h10-11,13-14,21-25,27H,8-9,12,15-20H2,1-7H3,(H2,38,39,40,41)
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| InChIKey |
NTYWREHBWRTOAO-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