General Information of the Compound
| Compound ID |
CP0462642
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| Compound Name |
US8637502, 24
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| Structure |
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| Formula |
C27H26N4O3
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| Molecular Weight |
454.53
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| Canonical SMILES |
NC(=O)Cn1c2ccccc2n(C2CCN(CC2)C2Cc3cccc4cccc2c34)c(=O)c1=O
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| InChI |
InChI=1S/C27H26N4O3/c28-24(32)16-30-21-9-1-2-10-22(21)31(27(34)26(30)33)19-11-13-29(14-12-19)23-15-18-7-3-5-17-6-4-8-20(23)25(17)18/h1-10,19,23H,11-16H2,(H2,28,32)
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| InChIKey |
YCKODQWAIKYAQB-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
Protein ID: PT01360, Nociceptin receptor