General Information of the Compound
| Compound ID |
CP0468881
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| Compound Name |
methyl (E)-2-[(1S,6S,7S,8aS)-6-ethyl-4'-methoxy-1'-methyl-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 |
C24H32N2O5
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| Molecular Weight |
428.529
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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(C)c1cccc(OC)c1C3=O
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| InChI |
InChI=1S/C24H32N2O5/c1-6-15-13-26-11-10-24(20(26)12-16(15)17(14-29-3)23(28)31-5)22(27)21-18(25(24)2)8-7-9-19(21)30-4/h7-9,14-16,20H,6,10-13H2,1-5H3/b17-14+/t15-,16+,20+,24+/m1/s1
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| InChIKey |
SXHNCXWMXBVBRW-FPCMTBHCSA-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