General Information of the Compound
| Compound ID |
CP0466577
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| Compound Name |
US8846929, 207
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| Formula |
C31H38N4O3
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| Molecular Weight |
514.67
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| Canonical SMILES |
OC(=O)[C@@H](Nc1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O)c1ccccc1
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| InChI |
InChI=1S/C31H38N4O3/c36-30-29(33-28(31(37)38)21-11-5-4-6-12-21)32-26-15-9-10-16-27(26)35(30)25-19-23-17-18-24(20-25)34(23)22-13-7-2-1-3-8-14-22/h4-6,9-12,15-16,22-25,28H,1-3,7-8,13-14,17-20H2,(H,32,33)(H,37,38)/t23-,24+,25+,28-/m0/s1
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| InChIKey |
UAFYDMKPWRTPLM-FQJHJXCSSA-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