General Information of the Compound
| Compound ID |
CP0529608
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| Compound Name |
3-(3,5-Bis-trifluoromethyl-benzyloxymethyl)-2-methyl-4-phenyl-2H-isoquinolin-1-one
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| Structure |
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| Formula |
C26H19F6NO2
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| Molecular Weight |
491.431
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| Canonical SMILES |
Cn1c(COCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c(-c2ccccc2)c2ccccc2c1=O
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| InChI |
InChI=1S/C26H19F6NO2/c1-33-22(15-35-14-16-11-18(25(27,28)29)13-19(12-16)26(30,31)32)23(17-7-3-2-4-8-17)20-9-5-6-10-21(20)24(33)34/h2-13H,14-15H2,1H3
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| InChIKey |
VUMATGNDCCCSSB-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