General Information of the Compound
| Compound ID |
CP0574573
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| Compound Name |
(E)-3-[4-[6-hydroxy-1-methyl-2-[4-(trifluoromethyl)phenyl]-3,4-dihydroisoquinolin-1-yl]phenyl]prop-2-enoic acid
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| Structure |
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| Formula |
C26H22F3NO3
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| Molecular Weight |
453.46
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| Canonical SMILES |
CC1(N(CCc2cc(O)ccc12)c1ccc(cc1)C(F)(F)F)c1ccc(\C=C\C(O)=O)cc1
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| InChI |
InChI=1S/C26H22F3NO3/c1-25(19-5-2-17(3-6-19)4-13-24(32)33)23-12-11-22(31)16-18(23)14-15-30(25)21-9-7-20(8-10-21)26(27,28)29/h2-13,16,31H,14-15H2,1H3,(H,32,33)/b13-4+
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| InChIKey |
PHXPBLPKQUELRL-YIXHJXPBSA-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