General Information of the Compound
| Compound ID |
CP0422710
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| Compound Name |
3-[Methyl-(4''-trifluoromethyl-biphenyl-4-carbonyl)-amino]-pyrrolidine-1-carboxylic acid methyl-(1-methyl-pyrrolidin-3-yl)-amide
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| Structure |
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| Formula |
C26H31F3N4O2
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| Molecular Weight |
488.554
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| Canonical SMILES |
CN(C1CCN(C)C1)C(=O)N1CCC(C1)N(C)C(=O)c1ccc(cc1)-c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C26H31F3N4O2/c1-30-14-12-22(16-30)32(3)25(35)33-15-13-23(17-33)31(2)24(34)20-6-4-18(5-7-20)19-8-10-21(11-9-19)26(27,28)29/h4-11,22-23H,12-17H2,1-3H3
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| InChIKey |
GMHSPIYMTPCTQP-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