General Information of the Compound
| Compound ID |
CP0539052
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| Compound Name |
2-(4-fluorophenyl)-1-methyl-1-[4-[(E)-2-(5-propyl-1,3,4-oxadiazol-2-yl)ethenyl]phenyl]-3,4-dihydroisoquinolin-6-ol
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| Structure |
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| Formula |
C29H28FN3O2
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| Molecular Weight |
469.56
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| Canonical SMILES |
CCCc1nnc(\C=C\c2ccc(cc2)C2(C)N(CCc3cc(O)ccc23)c2ccc(F)cc2)o1
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| InChI |
InChI=1S/C29H28FN3O2/c1-3-4-27-31-32-28(35-27)16-7-20-5-8-22(9-6-20)29(2)26-15-14-25(34)19-21(26)17-18-33(29)24-12-10-23(30)11-13-24/h5-16,19,34H,3-4,17-18H2,1-2H3/b16-7+
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| InChIKey |
DEVIXBKKIXIWRM-FRKPEAEDSA-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