General Information of the Compound
| Compound ID |
CP0497805
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| Compound Name |
1-(4-(3-chlorophenyl)-2-(pyrrolidin-1-ylmethyl)piperazin-1-yl)-2-((3,4-dichlorophenyl)(methyl)amino)ethanone
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| Structure |
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| Formula |
C24H29Cl3N4O
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| Molecular Weight |
495.882
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| Canonical SMILES |
CN(CC(=O)N1CCN(CC1CN1CCCC1)c1cccc(Cl)c1)c1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C24H29Cl3N4O/c1-28(19-7-8-22(26)23(27)14-19)17-24(32)31-12-11-30(20-6-4-5-18(25)13-20)16-21(31)15-29-9-2-3-10-29/h4-8,13-14,21H,2-3,9-12,15-17H2,1H3
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| InChIKey |
NCNUMIJKZQTGDR-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