General Information of the Compound
| Compound ID |
CP0517899
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| Compound Name |
US8637502, 67
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| Structure |
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| Formula |
C21H30N4O2
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| Molecular Weight |
370.497
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| Canonical SMILES |
O=C1CC(=O)N(C2CCN(CC2)C2CCCCCCC2)c2cccnc2N1
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| InChI |
InChI=1S/C21H30N4O2/c26-19-15-20(27)25(18-9-6-12-22-21(18)23-19)17-10-13-24(14-11-17)16-7-4-2-1-3-5-8-16/h6,9,12,16-17H,1-5,7-8,10-11,13-15H2,(H,22,23,26)
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| InChIKey |
NMGLMXRNNQARRH-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: PT01360, Nociceptin receptor