General Information of the Compound
| Compound ID |
CP0505211
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| Compound Name |
(E)-3-[4-[(1S)-6-hydroxy-1-methyl-2-(2-methylpropyl)-3,4-dihydroisoquinolin-1-yl]phenyl]prop-2-enoic acid
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| Structure |
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| Formula |
C23H27NO3
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| Molecular Weight |
365.473
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| Canonical SMILES |
CC(C)CN1CCc2cc(O)ccc2[C@]1(C)c1ccc(\C=C\C(O)=O)cc1
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| InChI |
InChI=1S/C23H27NO3/c1-16(2)15-24-13-12-18-14-20(25)9-10-21(18)23(24,3)19-7-4-17(5-8-19)6-11-22(26)27/h4-11,14,16,25H,12-13,15H2,1-3H3,(H,26,27)/b11-6+/t23-/m0/s1
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| InChIKey |
WIYPHWOCUFWQTJ-VMMLISQSSA-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