General Information of the Compound
| Compound ID |
CP0540215
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| Compound Name |
3-[Methyl-(4''-trifluoromethyl-biphenyl-4-carbonyl)-amino]-pyrrolidine-1-carboxylic acid [1-(4,4-dimethyl-cyclohexyl)-pyrrolidin-3-yl]-methyl-amide
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| Structure |
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| Formula |
C33H43F3N4O2
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| Molecular Weight |
584.727
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| Canonical SMILES |
CN(C1CCN(C1)C1CCC(C)(C)CC1)C(=O)N1CCC(C1)N(C)C(=O)c1ccc(cc1)-c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C33H43F3N4O2/c1-32(2)17-13-27(14-18-32)39-19-15-29(21-39)38(4)31(42)40-20-16-28(22-40)37(3)30(41)25-7-5-23(6-8-25)24-9-11-26(12-10-24)33(34,35)36/h5-12,27-29H,13-22H2,1-4H3
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| InChIKey |
GETZJGVTPRSRQI-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