General Information of the Compound
| Compound ID |
CP0205422
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| Compound Name |
(E)-3-[4-[(1R,3R)-6-hydroxy-1,3-dimethyl-2-(2-methylpropyl)-3,4-dihydroisoquinolin-1-yl]phenyl]prop-2-enoic acid
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| Structure |
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| Formula |
C24H29NO3
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| Molecular Weight |
379.5
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| Canonical SMILES |
CC(C)CN1[C@H](C)Cc2cc(O)ccc2[C@@]1(C)c1ccc(\C=C\C(O)=O)cc1
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| InChI |
InChI=1S/C24H29NO3/c1-16(2)15-25-17(3)13-19-14-21(26)10-11-22(19)24(25,4)20-8-5-18(6-9-20)7-12-23(27)28/h5-12,14,16-17,26H,13,15H2,1-4H3,(H,27,28)/b12-7+/t17-,24-/m1/s1
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| InChIKey |
BEIOELRESMYFNS-ZUNOJEGASA-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