General Information of the Compound
| Compound ID |
CP0409908
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| Compound Name |
ethyl N-[(1R,3aR,4aR,6R,8aR,9S,9aS)-1-methyl-3-oxo-9-[(E)-2-(4-pyridin-2-ylphenyl)ethenyl]-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-1H-benzo[f][2]benzofuran-6-yl]carbamate
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| Structure |
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| Formula |
C29H34N2O4
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| Molecular Weight |
474.601
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| Canonical SMILES |
CCOC(=O)N[C@@H]1CC[C@@H]2[C@H](C[C@@H]3[C@@H]([C@@H](C)OC3=O)[C@H]2\C=C\c2ccc(cc2)-c2ccccn2)C1
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| InChI |
InChI=1S/C29H34N2O4/c1-3-34-29(33)31-22-12-14-23-21(16-22)17-25-27(18(2)35-28(25)32)24(23)13-9-19-7-10-20(11-8-19)26-6-4-5-15-30-26/h4-11,13,15,18,21-25,27H,3,12,14,16-17H2,1-2H3,(H,31,33)/b13-9+/t18-,21+,22-,23-,24+,25-,27+/m1/s1
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| InChIKey |
ZYEJCRUHBLTUJN-HPUQELJZSA-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