General Information of the Compound
| Compound ID |
CP0520487
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| Compound Name |
(E)-3-[4-[(1R,3R)-6-methoxy-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 |
C24H29NO3
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| Molecular Weight |
379.5
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| Canonical SMILES |
COc1ccc2[C@H](N(CC(C)C)[C@H](C)Cc2c1)c1ccc(\C=C\C(O)=O)cc1
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| InChI |
InChI=1S/C24H29NO3/c1-16(2)15-25-17(3)13-20-14-21(28-4)10-11-22(20)24(25)19-8-5-18(6-9-19)7-12-23(26)27/h5-12,14,16-17,24H,13,15H2,1-4H3,(H,26,27)/b12-7+/t17-,24-/m1/s1
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| InChIKey |
CPGZFHDAEOPUMA-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