General Information of the Compound
| Compound ID |
CP0223449
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| Compound Name |
US8846929, 356
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| Formula |
C28H39N3O3
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| Molecular Weight |
465.638
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| Canonical SMILES |
OC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCCCCCC2)c1=O
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| InChI |
InChI=1S/C28H39N3O3/c32-27-26(28(33)34)29-24-14-10-11-15-25(24)31(27)23-18-21-16-17-22(19-23)30(21)20-12-8-6-4-2-1-3-5-7-9-13-20/h10-11,14-15,20-23H,1-9,12-13,16-19H2,(H,33,34)/t21-,22+,23+
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| InChIKey |
DNQQJKRDKSYDKP-JKHIJQBDSA-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: PT02466, Opioid growth factor receptor-like protein 1