General Information of the Compound
| Compound ID |
CP0468724
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| Compound Name |
2-(4-fluorophenyl)-1-methyl-1-[4-[(E)-2-(1-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 |
Cn1cnc(\C=C\c2ccc(cc2)C2(C)N(CCc3cc(O)ccc23)c2ccc(F)cc2)c1
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| InChI |
InChI=1S/C28H26FN3O/c1-28(22-6-3-20(4-7-22)5-10-24-18-31(2)19-30-24)27-14-13-26(33)17-21(27)15-16-32(28)25-11-8-23(29)9-12-25/h3-14,17-19,33H,15-16H2,1-2H3/b10-5+
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| InChIKey |
KHUXQWIDGPBLKX-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