General Information of the Compound
| Compound ID |
CP0531780
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| Compound Name |
US8846929, 308
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| Formula |
C28H38N4O4
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| Molecular Weight |
494.636
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| Canonical SMILES |
CC(C)(NC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O)C(O)=O
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| InChI |
InChI=1S/C28H38N4O4/c1-28(2,27(35)36)30-25(33)24-26(34)32(23-13-9-8-12-22(23)29-24)21-16-19-14-15-20(17-21)31(19)18-10-6-4-3-5-7-11-18/h8-9,12-13,18-21H,3-7,10-11,14-17H2,1-2H3,(H,30,33)(H,35,36)/t19-,20+,21+
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| InChIKey |
FAMFJIIZFNTJGD-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