General Information of the Compound
| Compound ID |
CP0442032
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| Compound Name |
US8846929, 21
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| Structure |
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| Formula |
C31H47N5O3
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| Molecular Weight |
537.749
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| Canonical SMILES |
CC(C)(C)OC(=O)NC1CCN(CC1)c1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
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| InChI |
InChI=1S/C31H47N5O3/c1-31(2,3)39-30(38)32-23-15-19-35(20-16-23)28-29(37)36(27-14-10-9-13-26(27)33-28)25-17-21-34(22-18-25)24-11-7-5-4-6-8-12-24/h9-10,13-14,23-25H,4-8,11-12,15-22H2,1-3H3,(H,32,38)
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| InChIKey |
LJTHMSKYSNBAHM-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