General Information of the Compound
| Compound ID |
CP0554553
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| Compound Name |
methyl (E)-2-[(3R,7'R,8'S,9'aR)-7'-ethenyl-2-oxospiro[1H-indole-3,2'-4,6,7,8,9,9a-hexahydro-3H-pyrido[2,1-b][1,3]oxazine]-8'-yl]-3-methoxyprop-2-enoate
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| Structure |
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| Formula |
C22H26N2O5
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| Molecular Weight |
398.459
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| Canonical SMILES |
CO\C=C(/[C@H]1C[C@H]2O[C@@]3(CCN2C[C@@H]1C=C)C(=O)Nc1ccccc31)C(=O)OC
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| InChI |
InChI=1S/C22H26N2O5/c1-4-14-12-24-10-9-22(17-7-5-6-8-18(17)23-21(22)26)29-19(24)11-15(14)16(13-27-2)20(25)28-3/h4-8,13-15,19H,1,9-12H2,2-3H3,(H,23,26)/b16-13+/t14-,15-,19+,22+/m0/s1
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| InChIKey |
OQRUPJFPATYERI-BRSGZFOASA-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