General Information of the Compound
| Compound ID |
CP0574574
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| Compound Name |
(E)-3-[4-[2-(4-fluorophenyl)-6-hydroxy-1-methyl-3,4-dihydroisoquinolin-1-yl]phenyl]-N-methylprop-2-enamide
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| Structure |
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| Formula |
C26H25FN2O2
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| Molecular Weight |
416.496
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| Canonical SMILES |
CNC(=O)\C=C\c1ccc(cc1)C1(C)N(CCc2cc(O)ccc12)c1ccc(F)cc1
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| InChI |
InChI=1S/C26H25FN2O2/c1-26(20-6-3-18(4-7-20)5-14-25(31)28-2)24-13-12-23(30)17-19(24)15-16-29(26)22-10-8-21(27)9-11-22/h3-14,17,30H,15-16H2,1-2H3,(H,28,31)/b14-5+
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| InChIKey |
OKYJZTJSOYPGON-LHHJGKSTSA-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