General Information of the Compound
| Compound ID |
CP0437321
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| Compound Name |
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-2-(2-methyl-1-oxo-4-phenylisoquinolin-3-yl)acetamide
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| Structure |
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| Formula |
C28H22F6N2O2
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| Molecular Weight |
532.484
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| Canonical SMILES |
CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)Cc1c(-c2ccccc2)c2ccccc2c(=O)n1C
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| InChI |
InChI=1S/C28H22F6N2O2/c1-35(16-17-12-19(27(29,30)31)14-20(13-17)28(32,33)34)24(37)15-23-25(18-8-4-3-5-9-18)21-10-6-7-11-22(21)26(38)36(23)2/h3-14H,15-16H2,1-2H3
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| InChIKey |
SLAOVGOAOZJZKV-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