General Information of the Compound
| Compound ID |
CP0515133
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| Compound Name |
US8846929, 305
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| Formula |
C31H38N4O3
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| Molecular Weight |
514.67
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| Canonical SMILES |
OC(=O)c1cccc(CNc2nc3ccccc3n([C@@H]3C[C@@H]4CC[C@H](C3)N4C3CCCCCCC3)c2=O)c1
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| InChI |
InChI=1S/C31H38N4O3/c36-30-29(32-20-21-9-8-10-22(17-21)31(37)38)33-27-13-6-7-14-28(27)35(30)26-18-24-15-16-25(19-26)34(24)23-11-4-2-1-3-5-12-23/h6-10,13-14,17,23-26H,1-5,11-12,15-16,18-20H2,(H,32,33)(H,37,38)/t24-,25+,26+
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| InChIKey |
ALPLEPRCEXBSHO-GPOLMCQNSA-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