General Information of the Compound
| Compound ID |
CP0094455
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| Compound Name |
methyl (3R)-2-[(4-hydroxyphenyl)methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate
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| Structure |
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| Formula |
C20H20N2O3
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| Molecular Weight |
336.391
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| Canonical SMILES |
COC(=O)[C@H]1Cc2c(CN1Cc1ccc(O)cc1)[nH]c1ccccc21
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| InChI |
InChI=1S/C20H20N2O3/c1-25-20(24)19-10-16-15-4-2-3-5-17(15)21-18(16)12-22(19)11-13-6-8-14(23)9-7-13/h2-9,19,21,23H,10-12H2,1H3/t19-/m1/s1
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| InChIKey |
UYILNYMOHIDLGB-LJQANCHMSA-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