General Information of the Compound
| Compound ID |
CP0490522
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| Compound Name |
1-(4-benzoyl-2-(pyrrolidin-1-ylmethyl)piperazin-1-yl)-2-((3,4-dichlorophenyl)(methyl)amino)ethanone
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| Structure |
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| Formula |
C25H30Cl2N4O2
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| Molecular Weight |
489.447
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| Canonical SMILES |
CN(CC(=O)N1CCN(CC1CN1CCCC1)C(=O)c1ccccc1)c1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C25H30Cl2N4O2/c1-28(20-9-10-22(26)23(27)15-20)18-24(32)31-14-13-30(25(33)19-7-3-2-4-8-19)17-21(31)16-29-11-5-6-12-29/h2-4,7-10,15,21H,5-6,11-14,16-18H2,1H3
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| InChIKey |
LNOZNLGAFQICRV-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