General Information of the Compound
| Compound ID |
CP0491126
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| Compound Name |
US8846929, 70
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| Structure |
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| Formula |
C24H33N3O3
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| Molecular Weight |
411.546
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| Canonical SMILES |
CCOC(=O)c1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
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| InChI |
InChI=1S/C24H33N3O3/c1-2-30-24(29)22-23(28)27(21-13-9-8-12-20(21)25-22)19-14-16-26(17-15-19)18-10-6-4-3-5-7-11-18/h8-9,12-13,18-19H,2-7,10-11,14-17H2,1H3
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| InChIKey |
ZMZYILLIMBOBHA-UHFFFAOYSA-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: PT01200, Delta-type opioid receptor
Protein ID: PT00983, Kappa-type opioid receptor