General Information of the Compound
| Compound ID |
CP0570447
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| Compound Name |
(E)-N-[(4R,4aS,7R,7aR,12bS)-3-[2-(dimethylamino)phenyl]sulfonyl-4a-hydroxy-9-methoxy-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]-N-methyl-3-pyridin-3-ylprop-2-enamide
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| Structure |
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| Formula |
C34H38N4O6S
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| Molecular Weight |
630.767
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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\c1cccnc1)S(=O)(=O)c1ccccc1N(C)C
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| InChI |
InChI=1S/C34H38N4O6S/c1-36(2)24-9-5-6-10-27(24)45(41,42)38-19-17-33-30-23-12-13-26(43-4)31(30)44-32(33)25(15-16-34(33,40)28(38)20-23)37(3)29(39)14-11-22-8-7-18-35-21-22/h5-14,18,21,25,28,32,40H,15-17,19-20H2,1-4H3/b14-11+/t25-,28-,32+,33+,34-/m1/s1
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| InChIKey |
NTQDODLAHHXYJH-LJUPUSLDSA-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