General Information of the Compound
| Compound ID |
CP0533959
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| Compound Name |
(E)-N-[(4R,4aS,7R,7aR,12bS)-3-acetyl-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 |
C27H30N2O6
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| Molecular Weight |
478.545
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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)C(C)=O
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| InChI |
InChI=1S/C27H30N2O6/c1-16(30)29-12-11-26-23-18-5-6-20(33-3)24(23)35-25(26)19(8-10-27(26,32)21(29)14-18)28(2)22(31)7-4-17-9-13-34-15-17/h4-7,9,13,15,19,21,25,32H,8,10-12,14H2,1-3H3/b7-4+/t19-,21-,25+,26+,27-/m1/s1
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| InChIKey |
JTZLEGGRCKOFAR-XZKAXSOVSA-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