General Information of the Compound
| Compound ID |
CP0418230
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| Compound Name |
US8637502, 12
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| Structure |
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| Formula |
C25H23N3O2
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| Molecular Weight |
397.478
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| Canonical SMILES |
O=c1[nH]c2ccccc2n(C2CCN(CC2)C2Cc3cccc4cccc2c34)c1=O
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| InChI |
InChI=1S/C25H23N3O2/c29-24-25(30)28(21-10-2-1-9-20(21)26-24)18-11-13-27(14-12-18)22-15-17-7-3-5-16-6-4-8-19(22)23(16)17/h1-10,18,22H,11-15H2,(H,26,29)
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| InChIKey |
UIPRRHHCLMYFHJ-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