General Information of the Compound
| Compound ID |
CP0393915
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| Compound Name |
(E)-3-[4-[6-hydroxy-2-(4-propan-2-ylphenyl)-1-(trifluoromethyl)-3,4-dihydroisoquinolin-1-yl]phenyl]prop-2-enoic acid
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| Structure |
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| Formula |
C28H26F3NO3
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| Molecular Weight |
481.514
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| Canonical SMILES |
CC(C)c1ccc(cc1)N1CCc2cc(O)ccc2C1(c1ccc(\C=C\C(O)=O)cc1)C(F)(F)F
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| InChI |
InChI=1S/C28H26F3NO3/c1-18(2)20-6-10-23(11-7-20)32-16-15-21-17-24(33)12-13-25(21)27(32,28(29,30)31)22-8-3-19(4-9-22)5-14-26(34)35/h3-14,17-18,33H,15-16H2,1-2H3,(H,34,35)/b14-5+
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| InChIKey |
SBEGDEXXUUFRSH-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