General Information of the Compound
| Compound ID |
CP0478355
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| Compound Name |
(E)-N-[(4R,4aS,7R,7aR,12bS)-3-(3-cyanophenyl)sulfonyl-4a-hydroxy-9-methoxy-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]-3-(furan-3-yl)-N-methylprop-2-enamide
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| Structure |
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| Formula |
C32H31N3O7S
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| Molecular Weight |
601.681
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| Canonical SMILES |
COc1ccc2C[C@H]3N(CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)N(C)C(=O)\C=C\c1ccoc1)S(=O)(=O)c1cccc(c1)C#N
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| InChI |
InChI=1S/C32H31N3O7S/c1-34(27(36)9-6-20-11-15-41-19-20)24-10-12-32(37)26-17-22-7-8-25(40-2)29-28(22)31(32,30(24)42-29)13-14-35(26)43(38,39)23-5-3-4-21(16-23)18-33/h3-9,11,15-16,19,24,26,30,37H,10,12-14,17H2,1-2H3/b9-6+/t24-,26-,30+,31+,32-/m1/s1
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| InChIKey |
RBLXATNMROIRSP-JLFXGLNGSA-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