General Information of the Compound
| Compound ID |
CP0495212
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| Compound Name |
methyl (E)-2-[(1S,6S,7S,8aS)-1'-benzyl-6-ethyl-4'-methoxy-3'-oxospiro[3,5,6,7,8,8a-hexahydro-2H-indolizine-1,2'-indole]-7-yl]-3-methoxyprop-2-enoate
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| Structure |
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| Formula |
C30H36N2O5
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| Molecular Weight |
504.627
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| Canonical SMILES |
CC[C@@H]1CN2CC[C@@]3([C@@H]2C[C@@H]1\C(=C/OC)C(=O)OC)N(Cc1ccccc1)c1cccc(OC)c1C3=O
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| InChI |
InChI=1S/C30H36N2O5/c1-5-21-18-31-15-14-30(26(31)16-22(21)23(19-35-2)29(34)37-4)28(33)27-24(12-9-13-25(27)36-3)32(30)17-20-10-7-6-8-11-20/h6-13,19,21-22,26H,5,14-18H2,1-4H3/b23-19+/t21-,22+,26+,30+/m1/s1
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| InChIKey |
OATYCYBMQGFTJB-PAKGBSETSA-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
Protein ID: PT01791, Delta-type opioid receptor
Protein ID: PT02264, Kappa-type opioid receptor
Protein ID: PT02699, Mu-type opioid receptor