General Information of the Compound
| Compound ID |
CP0460431
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| Compound Name |
2-((3,4-dichlorophenyl)(methyl)amino)-1-(4-(phenylsulfonyl)-2-(pyrrolidin-1-ylmethyl)piperazin-1-yl)ethanone
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| Structure |
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| Formula |
C24H30Cl2N4O3S
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| Molecular Weight |
525.502
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| Canonical SMILES |
CN(CC(=O)N1CCN(CC1CN1CCCC1)S(=O)(=O)c1ccccc1)c1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C24H30Cl2N4O3S/c1-27(19-9-10-22(25)23(26)15-19)18-24(31)30-14-13-29(17-20(30)16-28-11-5-6-12-28)34(32,33)21-7-3-2-4-8-21/h2-4,7-10,15,20H,5-6,11-14,16-18H2,1H3
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| InChIKey |
ZTAVAPSIWBETQP-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