General Information of the Compound
| Compound ID |
CP0447301
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| Compound Name |
(E)-3-[4-[2-(3-fluorophenyl)-6-hydroxy-1-methyl-3,4-dihydroisoquinolin-1-yl]phenyl]prop-2-enoic acid
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| Structure |
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| Formula |
C25H22FNO3
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| Molecular Weight |
403.453
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| Canonical SMILES |
CC1(N(CCc2cc(O)ccc12)c1cccc(F)c1)c1ccc(\C=C\C(O)=O)cc1
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| InChI |
InChI=1S/C25H22FNO3/c1-25(19-8-5-17(6-9-19)7-12-24(29)30)23-11-10-22(28)15-18(23)13-14-27(25)21-4-2-3-20(26)16-21/h2-12,15-16,28H,13-14H2,1H3,(H,29,30)/b12-7+
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| InChIKey |
UMFRQAXNRHZJGG-KPKJPENVSA-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