General Information of the Compound
| Compound ID |
CP0662712
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| Compound Name |
(rel)-methyl 4-((4aS,5S,10bS)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-5-yl)benzoate
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| Structure |
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| Formula |
C20H21NO3
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| Molecular Weight |
323.392
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| Canonical SMILES |
COC(=O)c1ccc([C@H]2Nc3ccccc3[C@H]3OCCC[C@@H]23)cc1
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| InChI |
InChI=1S/C20H21NO3/c1-23-20(22)14-10-8-13(9-11-14)18-16-6-4-12-24-19(16)15-5-2-3-7-17(15)21-18/h2-3,5,7-11,16,18-19,21H,4,6,12H2,1H3/t16-,18+,19+/m0/s1
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| InChIKey |
WKKRFOSWBZQPAM-QXAKKESOSA-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