General Information of the Compound
| Compound ID |
CP0068708
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| Compound Name |
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N,1-dimethyl-2-oxo-4-pyrrolidin-1-ylquinoline-3-carboxamide
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| Structure |
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| Formula |
C25H23F6N3O2
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| Molecular Weight |
511.466
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| Canonical SMILES |
CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)c1c(N2CCCC2)c2ccccc2n(C)c1=O
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| InChI |
InChI=1S/C25H23F6N3O2/c1-32(14-15-11-16(24(26,27)28)13-17(12-15)25(29,30)31)22(35)20-21(34-9-5-6-10-34)18-7-3-4-8-19(18)33(2)23(20)36/h3-4,7-8,11-13H,5-6,9-10,14H2,1-2H3
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| InChIKey |
MCDADOMPEINVRO-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