General Information of the Compound
| Compound ID |
CP0522667
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| Compound Name |
2-((3,4-dichlorophenyl)(methyl)amino)-1-(4-(3,4-dimethoxybenzoyl)-2-(pyrrolidin-1-ylmethyl)piperazin-1-yl)ethanone
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| Structure |
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| Formula |
C27H34Cl2N4O4
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| Molecular Weight |
549.499
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| Canonical SMILES |
COc1ccc(cc1OC)C(=O)N1CCN(C(CN2CCCC2)C1)C(=O)CN(C)c1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C27H34Cl2N4O4/c1-30(20-7-8-22(28)23(29)15-20)18-26(34)33-13-12-32(17-21(33)16-31-10-4-5-11-31)27(35)19-6-9-24(36-2)25(14-19)37-3/h6-9,14-15,21H,4-5,10-13,16-18H2,1-3H3
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| InChIKey |
UMXZNJPMGVPDDD-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