General Information of the Compound
| Compound ID |
CP0176107
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| Compound Name |
(E)-3-[4-[(1R,3R)-3-methyl-2-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-1-yl]phenyl]prop-2-enoic acid
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| Structure |
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| Formula |
C23H27NO2
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| Molecular Weight |
349.474
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| Canonical SMILES |
CC(C)CN1[C@H](C)Cc2ccccc2[C@H]1c1ccc(\C=C\C(O)=O)cc1
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| InChI |
InChI=1S/C23H27NO2/c1-16(2)15-24-17(3)14-20-6-4-5-7-21(20)23(24)19-11-8-18(9-12-19)10-13-22(25)26/h4-13,16-17,23H,14-15H2,1-3H3,(H,25,26)/b13-10+/t17-,23-/m1/s1
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| InChIKey |
MGDZEIOULYKLRY-BPOCNNFQSA-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