General Information of the Compound
| Compound ID |
CP0388893
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| Compound Name |
(4S,4aR,7aS,12bR)-4a,9-dihydroxy-3-(5-phenylpentyl)-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one
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| Structure |
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| Formula |
C27H31NO4
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| Molecular Weight |
433.548
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| Canonical SMILES |
Oc1ccc2C[C@@H]3N(CCCCCc4ccccc4)CC[C@]45[C@H](Oc1c24)C(=O)CC[C@]35O
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| InChI |
InChI=1S/C27H31NO4/c29-20-11-10-19-17-22-27(31)13-12-21(30)25-26(27,23(19)24(20)32-25)14-16-28(22)15-6-2-5-9-18-7-3-1-4-8-18/h1,3-4,7-8,10-11,22,25,29,31H,2,5-6,9,12-17H2/t22-,25+,26+,27-/m0/s1
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| InChIKey |
GFYUJZNSYCSCSJ-FDBFMKMFSA-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