General Information of the Compound
| Compound ID |
CP0893507
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| Compound Name |
N-(3,4-dichlorophenyl)-N-(2-oxo-2-((2R,3R)-3-phenyl-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl)ethyl)methanesulfonamide
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| Structure |
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| Formula |
C25H31Cl2N3O3S
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| Molecular Weight |
524.514
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| Canonical SMILES |
CS(=O)(=O)N(CC(=O)N1CCC[C@H](c2ccccc2)[C@@H]1CN1CCCC1)c1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C25H31Cl2N3O3S/c1-34(32,33)30(20-11-12-22(26)23(27)16-20)18-25(31)29-15-7-10-21(19-8-3-2-4-9-19)24(29)17-28-13-5-6-14-28/h2-4,8-9,11-12,16,21,24H,5-7,10,13-15,17-18H2,1H3/t21-,24+/m1/s1
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| InChIKey |
DNPVLOAPPUENBG-QPPBQGQZSA-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