General Information of the Compound
| Compound ID |
CP0436115
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| Compound Name |
2-((3,4-dichlorophenyl)(methyl)amino)-1-(4-(3,4-difluorophenylsulfonyl)-2-(pyrrolidin-1-ylmethyl)piperazin-1-yl)ethanone
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| Structure |
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| Formula |
C24H28Cl2F2N4O3S
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| Molecular Weight |
561.482
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| Canonical SMILES |
CN(CC(=O)N1CCN(CC1CN1CCCC1)S(=O)(=O)c1ccc(F)c(F)c1)c1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C24H28Cl2F2N4O3S/c1-29(17-4-6-20(25)21(26)12-17)16-24(33)32-11-10-31(15-18(32)14-30-8-2-3-9-30)36(34,35)19-5-7-22(27)23(28)13-19/h4-7,12-13,18H,2-3,8-11,14-16H2,1H3
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| InChIKey |
OFJDCJAUTJSCNL-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