General Information of the Compound
| Compound ID |
CP0450790
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| Compound Name |
US8846929, 43
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| Structure |
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| Formula |
C30H38N4O
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| Molecular Weight |
470.661
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| Canonical SMILES |
O=c1c(nc2ccccc2n1C1CCN(CC1)C1CCCCCCC1)N1CCc2ccccc2C1
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| InChI |
InChI=1S/C30H38N4O/c35-30-29(33-19-16-23-10-6-7-11-24(23)22-33)31-27-14-8-9-15-28(27)34(30)26-17-20-32(21-18-26)25-12-4-2-1-3-5-13-25/h6-11,14-15,25-26H,1-5,12-13,16-22H2
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| InChIKey |
QPKBRNTZOUAANR-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