General Information of the Compound
| Compound ID |
CP0548890
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| Compound Name |
3-[Methyl-(4''-trifluoromethyl-biphenyl-4-carbonyl)-amino]-pyrrolidine-1-carboxylic acid methyl-pyrrolidin-3-yl-amide
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| Structure |
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| Formula |
C25H29F3N4O2
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| Molecular Weight |
474.527
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| Canonical SMILES |
CN(C1CCNC1)C(=O)N1CCC(C1)N(C)C(=O)c1ccc(cc1)-c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C25H29F3N4O2/c1-30(22-12-14-32(16-22)24(34)31(2)21-11-13-29-15-21)23(33)19-5-3-17(4-6-19)18-7-9-20(10-8-18)25(26,27)28/h3-10,21-22,29H,11-16H2,1-2H3
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| InChIKey |
SDBVPJBCYGPPHN-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