General Information of the Compound
| Compound ID |
CP0410356
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| Compound Name |
(E)-N-[(4R,4aS,7R,7aR,12bS)-3-(cyclopropylmethyl)-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 |
C29H34N2O5
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| Molecular Weight |
490.6
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| Canonical SMILES |
COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)N(C)C(=O)\C=C\c1ccoc1
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| InChI |
InChI=1S/C29H34N2O5/c1-30(24(32)8-5-19-10-14-35-17-19)21-9-11-29(33)23-15-20-6-7-22(34-2)26-25(20)28(29,27(21)36-26)12-13-31(23)16-18-3-4-18/h5-8,10,14,17-18,21,23,27,33H,3-4,9,11-13,15-16H2,1-2H3/b8-5+/t21-,23-,27+,28+,29-/m1/s1
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| InChIKey |
QZMGFYDYFPSJPI-JEQQIZSISA-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