General Information of the Compound
| Compound ID |
CP0551328
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| Compound Name |
US8637502, 57
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| Formula |
C24H33N3O2
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| Molecular Weight |
395.547
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| Canonical SMILES |
O=c1[nH]c2ccccc2n([C@H]2C[C@@H]3CCC[C@H](C2)N3C2CCCCCCC2)c1=O
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| InChI |
InChI=1S/C24H33N3O2/c28-23-24(29)27(22-14-7-6-13-21(22)25-23)20-15-18-11-8-12-19(16-20)26(18)17-9-4-2-1-3-5-10-17/h6-7,13-14,17-20H,1-5,8-12,15-16H2,(H,25,28)/t18-,19+,20-
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| InChIKey |
QVJLNGKSPRALSV-ACDBMABISA-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