General Information of the Compound
| Compound ID |
CP0848956
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| Compound Name |
(rel)-4-((4aS,12cS)-3,4,4a,5,6,12c-hexahydro-2H-benzo[f]pyrano[3,2-c]quinolin-5-yl)benzoic acid
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| Structure |
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| Formula |
C23H21NO3
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| Molecular Weight |
359.425
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| Canonical SMILES |
O=C(O)c1ccc(C2Nc3ccc4ccccc4c3[C@H]3OCCC[C@@H]23)cc1
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| InChI |
InChI=1S/C23H21NO3/c25-23(26)16-9-7-15(8-10-16)21-18-6-3-13-27-22(18)20-17-5-2-1-4-14(17)11-12-19(20)24-21/h1-2,4-5,7-12,18,21-22,24H,3,6,13H2,(H,25,26)/t18-,21?,22-/m0/s1
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| InChIKey |
RAFIPRLCGYAEIN-HURFNXGFSA-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