General Information of the Compound
| Compound ID |
CP0465143
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| Compound Name |
4-(4-Fluoro-phenyl)-2-methyl-1-oxo-1,2-dihydro-isoquinoline-3-carboxylic acid (3,5-bis-trifluoromethyl-benzyl)-methyl-amide
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| Structure |
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| Formula |
C27H19F7N2O2
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| Molecular Weight |
536.447
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| Canonical SMILES |
CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)c1c(-c2ccc(F)cc2)c2ccccc2c(=O)n1C
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| InChI |
InChI=1S/C27H19F7N2O2/c1-35(14-15-11-17(26(29,30)31)13-18(12-15)27(32,33)34)25(38)23-22(16-7-9-19(28)10-8-16)20-5-3-4-6-21(20)24(37)36(23)2/h3-13H,14H2,1-2H3
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| InChIKey |
ZLBVSSWQRYZKCR-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