General Information of the Compound
| Compound ID |
CP0491116
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| Compound Name |
US8846929, 307
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| Formula |
C27H36N4O4
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| Molecular Weight |
480.609
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| Canonical SMILES |
CN(CC(O)=O)C(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O
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| InChI |
InChI=1S/C27H36N4O4/c1-29(17-24(32)33)26(34)25-27(35)31(23-12-8-7-11-22(23)28-25)21-15-19-13-14-20(16-21)30(19)18-9-5-3-2-4-6-10-18/h7-8,11-12,18-21H,2-6,9-10,13-17H2,1H3,(H,32,33)/t19-,20+,21+
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| InChIKey |
KIYDYGOHKONJMB-AERCQKQUSA-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