General Information of the Compound
| Compound ID |
CP0078978
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| Compound Name |
(E)-3-[4-[(1R)-2-[(2S)-3-fluoro-2-methylpropyl]-6-hydroxy-3,3-dimethyl-1,4-dihydroisoquinolin-1-yl]phenyl]prop-2-enoic acid
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| Structure |
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| Formula |
C24H28FNO3
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| Molecular Weight |
397.49
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| Canonical SMILES |
C[C@H](CF)CN1[C@H](c2ccc(\C=C\C(O)=O)cc2)c2ccc(O)cc2CC1(C)C
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| InChI |
InChI=1S/C24H28FNO3/c1-16(14-25)15-26-23(18-7-4-17(5-8-18)6-11-22(28)29)21-10-9-20(27)12-19(21)13-24(26,2)3/h4-12,16,23,27H,13-15H2,1-3H3,(H,28,29)/b11-6+/t16-,23-/m1/s1
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| InChIKey |
FIYWXNXIHPKVDH-DGIIRHPGSA-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