General Information of the Compound
| Compound ID |
CP0428769
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| Compound Name |
(E)-3-[4-[2-(4-fluorophenyl)-6-hydroxy-1-methyl-3,4-dihydroisoquinolin-1-yl]phenyl]-N-(3,3,3-trifluoropropyl)prop-2-enamide
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| Structure |
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| Formula |
C28H26F4N2O2
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| Molecular Weight |
498.52
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| Canonical SMILES |
CC1(N(CCc2cc(O)ccc12)c1ccc(F)cc1)c1ccc(\C=C\C(=O)NCCC(F)(F)F)cc1
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| InChI |
InChI=1S/C28H26F4N2O2/c1-27(21-5-2-19(3-6-21)4-13-26(36)33-16-15-28(30,31)32)25-12-11-24(35)18-20(25)14-17-34(27)23-9-7-22(29)8-10-23/h2-13,18,35H,14-17H2,1H3,(H,33,36)/b13-4+
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| InChIKey |
IIMNFQHZEPVMPJ-YIXHJXPBSA-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