General Information of the Compound
| Compound ID |
CP0569475
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| Compound Name |
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N,1-dimethyl-4-(3-methylbutoxy)-2-oxoquinoline-3-carboxamide
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| Structure |
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| Formula |
C26H26F6N2O3
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| Molecular Weight |
528.493
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| Canonical SMILES |
CC(C)CCOc1c(C(=O)N(C)Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c(=O)n(C)c2ccccc12
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| InChI |
InChI=1S/C26H26F6N2O3/c1-15(2)9-10-37-22-19-7-5-6-8-20(19)34(4)24(36)21(22)23(35)33(3)14-16-11-17(25(27,28)29)13-18(12-16)26(30,31)32/h5-8,11-13,15H,9-10,14H2,1-4H3
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| InChIKey |
NWAOQGHOAHEBFM-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