General Information of the Compound
| Compound ID |
CP0540214
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| Compound Name |
3-[Methyl-(4''-trifluoromethyl-biphenyl-4-carbonyl)-amino]-pyrrolidine-1-carboxylic acid {1-[2-(4-chloro-phenoxy)-ethyl]-pyrrolidin-3-yl}-methyl-amide
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| Structure |
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| Formula |
C33H36ClF3N4O3
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| Molecular Weight |
629.123
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| Canonical SMILES |
CN(C1CCN(CCOc2ccc(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/C33H36ClF3N4O3/c1-38(31(42)25-5-3-23(4-6-25)24-7-9-26(10-8-24)33(35,36)37)29-16-18-41(22-29)32(43)39(2)28-15-17-40(21-28)19-20-44-30-13-11-27(34)12-14-30/h3-14,28-29H,15-22H2,1-2H3
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| InChIKey |
NEDFFGGGMNIQHU-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