General Information of the Compound
| Compound ID |
CP0551139
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| Compound Name |
US8846929, 6
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| Structure |
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| Formula |
C28H36N4O
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| Molecular Weight |
444.623
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| Canonical SMILES |
O=c1c(NCc2ccccc2)nc2ccccc2n1C1CCN(CC1)C1CCCCCCC1
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| InChI |
InChI=1S/C28H36N4O/c33-28-27(29-21-22-11-5-4-6-12-22)30-25-15-9-10-16-26(25)32(28)24-17-19-31(20-18-24)23-13-7-2-1-3-8-14-23/h4-6,9-12,15-16,23-24H,1-3,7-8,13-14,17-21H2,(H,29,30)
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| InChIKey |
HZXQEXIWMIAORH-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