General Information of the Compound
| Compound ID |
CP0442188
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| Compound Name |
US8846929, 34
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| Structure |
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| Formula |
C27H35N5O2
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| Molecular Weight |
461.61
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| Canonical SMILES |
COc1ccc(Nc2nc3ccccc3n(C3CCN(CC3)C3CCCCCCC3)c2=O)cn1
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| InChI |
InChI=1S/C27H35N5O2/c1-34-25-14-13-20(19-28-25)29-26-27(33)32(24-12-8-7-11-23(24)30-26)22-15-17-31(18-16-22)21-9-5-3-2-4-6-10-21/h7-8,11-14,19,21-22H,2-6,9-10,15-18H2,1H3,(H,29,30)
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| InChIKey |
PKHQCKPNCMWYHX-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