General Information of the Compound
| Compound ID |
CP0448665
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| Compound Name |
2-(4-fluorophenyl)-1-methyl-1-[4-[(E)-2-(3-methylimidazol-4-yl)ethenyl]phenyl]-3,4-dihydroisoquinolin-6-ol
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| Structure |
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| Formula |
C28H26FN3O
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| Molecular Weight |
439.534
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| Canonical SMILES |
Cn1cncc1\C=C\c1ccc(cc1)C1(C)N(CCc2cc(O)ccc12)c1ccc(F)cc1
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| InChI |
InChI=1S/C28H26FN3O/c1-28(22-6-3-20(4-7-22)5-10-25-18-30-19-31(25)2)27-14-13-26(33)17-21(27)15-16-32(28)24-11-8-23(29)9-12-24/h3-14,17-19,33H,15-16H2,1-2H3/b10-5+
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| InChIKey |
GHMAAMUCRPDVSB-BJMVGYQFSA-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