General Information of the Compound
| Compound ID |
CP0094451
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| Compound Name |
3-O-methyl 2-O-prop-2-enyl (3R)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2,3-dicarboxylate
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| Structure |
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| Formula |
C17H18N2O4
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| Molecular Weight |
314.341
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| Canonical SMILES |
COC(=O)[C@H]1Cc2c(CN1C(=O)OCC=C)[nH]c1ccccc21
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| InChI |
InChI=1S/C17H18N2O4/c1-3-8-23-17(21)19-10-14-12(9-15(19)16(20)22-2)11-6-4-5-7-13(11)18-14/h3-7,15,18H,1,8-10H2,2H3/t15-/m1/s1
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| InChIKey |
YXNZBFJOOQLJCP-OAHLLOKOSA-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