General Information of the Compound
| Compound ID |
CP0433604
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| Compound Name |
3-[Methyl-(4''-trifluoromethyl-biphenyl-4-carbonyl)-amino]-pyrrolidine-1-carboxylic acid {1-[3-(4-chloro-phenyl)-propyl]-pyrrolidin-3-yl}-methyl-amide
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| Structure |
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| Formula |
C34H38ClF3N4O2
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| Molecular Weight |
627.151
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| Canonical SMILES |
CN(C1CCN(CCCc2ccc(Cl)cc2)C1)C(=O)N1CCC(C1)N(C)C(=O)c1ccc(cc1)-c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C34H38ClF3N4O2/c1-39(32(43)27-9-7-25(8-10-27)26-11-13-28(14-12-26)34(36,37)38)31-18-21-42(23-31)33(44)40(2)30-17-20-41(22-30)19-3-4-24-5-15-29(35)16-6-24/h5-16,30-31H,3-4,17-23H2,1-2H3
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| InChIKey |
CZSUCMAQMLGPBX-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