General Information of the Compound
| Compound ID |
CP0446734
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| Compound Name |
(E)-3-[4-[7-(2-methylpropyl)-3,6,8,9-tetrahydropyrrolo[3,2-f]isoquinolin-6-yl]phenyl]prop-2-enoic acid
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| Structure |
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| Formula |
C24H26N2O2
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| Molecular Weight |
374.484
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| Canonical SMILES |
CC(C)CN1CCc2c(ccc3[nH]ccc23)C1c1ccc(\C=C\C(O)=O)cc1
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| InChI |
InChI=1S/C24H26N2O2/c1-16(2)15-26-14-12-19-20-11-13-25-22(20)9-8-21(19)24(26)18-6-3-17(4-7-18)5-10-23(27)28/h3-11,13,16,24-25H,12,14-15H2,1-2H3,(H,27,28)/b10-5+
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| InChIKey |
HRLHOAPGBLHTAI-BJMVGYQFSA-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