General Information of the Compound
| Compound ID |
CP0512756
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| Compound Name |
(1S,2R)-1-(3,4-dichlorophenyl)-N-(4-fluorobenzyl)-N-methyl-2-((4-(2-oxo-2-(pyrrolidin-1-yl)ethyl)piperazin-1-yl)methyl)cyclopropanecarboxamide
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| Structure |
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| Formula |
C29H35Cl2FN4O2
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| Molecular Weight |
561.529
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| Canonical SMILES |
CN(Cc1ccc(F)cc1)C(=O)[C@]1(C[C@H]1CN1CCN(CC(=O)N2CCCC2)CC1)c1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C29H35Cl2FN4O2/c1-33(18-21-4-7-24(32)8-5-21)28(38)29(22-6-9-25(30)26(31)16-22)17-23(29)19-34-12-14-35(15-13-34)20-27(37)36-10-2-3-11-36/h4-9,16,23H,2-3,10-15,17-20H2,1H3/t23-,29+/m0/s1
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| InChIKey |
NEGVUJAUKHMWJJ-MUAVYFROSA-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