General Information of the Compound
| Compound ID |
CP0558590
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| Compound Name |
2-(4-fluorophenyl)-1-[4-[(E)-2-(1H-imidazol-5-yl)ethenyl]phenyl]-1-methyl-3,4-dihydroisoquinolin-6-ol
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| Structure |
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| Formula |
C27H24FN3O
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| Molecular Weight |
425.507
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| Canonical SMILES |
CC1(N(CCc2cc(O)ccc12)c1ccc(F)cc1)c1ccc(\C=C\c2cnc[nH]2)cc1
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| InChI |
InChI=1S/C27H24FN3O/c1-27(21-5-2-19(3-6-21)4-9-23-17-29-18-30-23)26-13-12-25(32)16-20(26)14-15-31(27)24-10-7-22(28)8-11-24/h2-13,16-18,32H,14-15H2,1H3,(H,29,30)/b9-4+
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| InChIKey |
UQIDNBSEVKFIRB-RUDMXATFSA-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