General Information of the Compound
| Compound ID |
CP0393914
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| Compound Name |
2-(4-fluorophenyl)-1-methyl-1-[4-[(E)-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethenyl]phenyl]-3,4-dihydroisoquinolin-6-ol
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| Structure |
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| Formula |
C27H24FN3O2
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| Molecular Weight |
441.506
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| Canonical SMILES |
Cc1nnc(\C=C\c2ccc(cc2)C2(C)N(CCc3cc(O)ccc23)c2ccc(F)cc2)o1
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| InChI |
InChI=1S/C27H24FN3O2/c1-18-29-30-26(33-18)14-5-19-3-6-21(7-4-19)27(2)25-13-12-24(32)17-20(25)15-16-31(27)23-10-8-22(28)9-11-23/h3-14,17,32H,15-16H2,1-2H3/b14-5+
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| InChIKey |
BIYDFHJZBMADSS-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