General Information of the Compound
| Compound ID |
CP0526809
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| Compound Name |
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N,1-dimethyl-2-oxo-4-(3-phenylmethoxypyrrolidin-1-yl)quinoline-3-carboxamide
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| Structure |
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| Formula |
C32H29F6N3O3
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| Molecular Weight |
617.59
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| Canonical SMILES |
CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)c1c(N2CCC(C2)OCc2ccccc2)c2ccccc2n(C)c1=O
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| InChI |
InChI=1S/C32H29F6N3O3/c1-39(17-21-14-22(31(33,34)35)16-23(15-21)32(36,37)38)29(42)27-28(25-10-6-7-11-26(25)40(2)30(27)43)41-13-12-24(18-41)44-19-20-8-4-3-5-9-20/h3-11,14-16,24H,12-13,17-19H2,1-2H3
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| InChIKey |
IAPVMQXMKOHGNR-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