General Information of the Compound
| Compound ID |
CP0457675
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| Compound Name |
2-((3,4-dichlorophenyl)(methyl)amino)-1-(4-(methylsulfonyl)-2-(pyrrolidin-1-ylmethyl)piperazin-1-yl)ethanone
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| Structure |
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| Formula |
C19H28Cl2N4O3S
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| Molecular Weight |
463.431
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| Canonical SMILES |
CN(CC(=O)N1CCN(CC1CN1CCCC1)S(C)(=O)=O)c1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C19H28Cl2N4O3S/c1-22(15-5-6-17(20)18(21)11-15)14-19(26)25-10-9-24(29(2,27)28)13-16(25)12-23-7-3-4-8-23/h5-6,11,16H,3-4,7-10,12-14H2,1-2H3
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| InChIKey |
VTXBIFZQEOMVGA-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