General Information of the Compound
| Compound ID |
CP0447312
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| Compound Name |
(E)-3-[4-[2-(2-fluoro-4-propan-2-ylphenyl)-6-hydroxy-1-methyl-3,4-dihydroisoquinolin-1-yl]phenyl]prop-2-enoic acid
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| Structure |
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| Formula |
C28H28FNO3
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| Molecular Weight |
445.534
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| Canonical SMILES |
CC(C)c1ccc(N2CCc3cc(O)ccc3C2(C)c2ccc(\C=C\C(O)=O)cc2)c(F)c1
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| InChI |
InChI=1S/C28H28FNO3/c1-18(2)20-7-12-26(25(29)17-20)30-15-14-21-16-23(31)10-11-24(21)28(30,3)22-8-4-19(5-9-22)6-13-27(32)33/h4-13,16-18,31H,14-15H2,1-3H3,(H,32,33)/b13-6+
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| InChIKey |
LSJYECUVWNGNLV-AWNIVKPZSA-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