General Information of the Compound
| Compound ID |
CP0430208
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| Compound Name |
3-[Methyl-(4''-trifluoromethyl-biphenyl-4-carbonyl)-amino]-pyrrolidine-1-carboxylic acid [1-(2-hydroxy-ethyl)-pyrrolidin-3-yl]-methyl-amide
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| Structure |
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| Formula |
C27H33F3N4O3
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| Molecular Weight |
518.58
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| Canonical SMILES |
CN(C1CCN(CCO)C1)C(=O)N1CCC(C1)N(C)C(=O)c1ccc(cc1)-c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C27H33F3N4O3/c1-31(24-12-14-34(18-24)26(37)32(2)23-11-13-33(17-23)15-16-35)25(36)21-5-3-19(4-6-21)20-7-9-22(10-8-20)27(28,29)30/h3-10,23-24,35H,11-18H2,1-2H3
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| InChIKey |
UFQHJBUUPWHGOJ-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