General Information of the Compound
| Compound ID |
CP0525870
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| Compound Name |
3-[Methyl-(4''-trifluoromethyl-biphenyl-4-carbonyl)-amino]-pyrrolidine-1-carboxylic acid [1-(3-cyclopentyl-propyl)-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(CCCC2CCCC2)C1)C(=O)N1CCC(C1)N(C)C(=O)c1ccc(cc1)-c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C33H43F3N4O2/c1-37(31(41)27-11-9-25(10-12-27)26-13-15-28(16-14-26)33(34,35)36)30-18-21-40(23-30)32(42)38(2)29-17-20-39(22-29)19-5-8-24-6-3-4-7-24/h9-16,24,29-30H,3-8,17-23H2,1-2H3
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| InChIKey |
DPIMUOJRFNNAHL-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