General Information of the Compound
| Compound ID |
CP0428199
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| Compound Name |
4'-trifluoromethyl-biphenyl-4-carboxylic acid ((S)-1-{(S)-3-[3-(4-chloro-phenyl)-3-methyl-butylamino]-pyrrolidine-1-carbonyl}-pyrrolidin-3-yl)-methyl-amide
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| Structure |
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| Formula |
C35H40ClF3N4O2
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| Molecular Weight |
641.178
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| Canonical SMILES |
CN([C@H]1CCN(C1)C(=O)N1CC[C@@H](C1)NCCC(C)(C)c1ccc(Cl)cc1)C(=O)c1ccc(cc1)-c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C35H40ClF3N4O2/c1-34(2,27-12-14-29(36)15-13-27)18-19-40-30-16-20-42(22-30)33(45)43-21-17-31(23-43)41(3)32(44)26-6-4-24(5-7-26)25-8-10-28(11-9-25)35(37,38)39/h4-15,30-31,40H,16-23H2,1-3H3/t30-,31-/m0/s1
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| InChIKey |
ZIYMZLIFVYQZGG-CONSDPRKSA-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