General Information of the Compound
| Compound ID |
CP0954212
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| Compound Name |
(rel)-4-((3aS,11cS)-2,3,3a,4,5,11c-hexahydrobenzo[f]furo[3,2-c]quinolin-4-yl)benzoic acid
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| Structure |
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| Formula |
C22H19NO3
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| Molecular Weight |
345.398
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| Canonical SMILES |
O=C(O)c1ccc(C2Nc3ccc4ccccc4c3[C@H]3OCC[C@@H]23)cc1
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| InChI |
InChI=1S/C22H19NO3/c24-22(25)15-7-5-14(6-8-15)20-17-11-12-26-21(17)19-16-4-2-1-3-13(16)9-10-18(19)23-20/h1-10,17,20-21,23H,11-12H2,(H,24,25)/t17-,20?,21-/m0/s1
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| InChIKey |
QPAPROIOMJFPII-ZPWCZAOQSA-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