General Information of the Compound
| Compound ID |
CP0450748
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| Compound Name |
US8637502, 61
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| Formula |
C23H27N3O2
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| Molecular Weight |
377.488
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| Canonical SMILES |
O=c1[nH]c2ccccc2n([C@@H]2C[C@H]3C=C[C@@H](C2)N3C2CCCCC\C=C/2)c1=O
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| InChI |
InChI=1S/C23H27N3O2/c27-22-23(28)26(21-11-7-6-10-20(21)24-22)19-14-17-12-13-18(15-19)25(17)16-8-4-2-1-3-5-9-16/h4,6-8,10-13,16-19H,1-3,5,9,14-15H2,(H,24,27)/b8-4-/t16?,17-,18+,19-
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| InChIKey |
IQQOBQHEIOGKDI-VNRYDWCLSA-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