General Information of the Compound
| Compound ID |
CP0304434
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| Compound Name |
6-[4-(trifluoromethyl)phenyl]-4H-isoquinoline-1,3-dione
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| Structure |
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| Formula |
C16H10F3NO2
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| Molecular Weight |
305.255
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| Canonical SMILES |
FC(F)(F)c1ccc(cc1)-c1ccc2C(=O)NC(=O)Cc2c1
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| InChI |
InChI=1S/C16H10F3NO2/c17-16(18,19)12-4-1-9(2-5-12)10-3-6-13-11(7-10)8-14(21)20-15(13)22/h1-7H,8H2,(H,20,21,22)
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| InChIKey |
JOXPXJPIHMJUBD-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