General Information of the Compound
| Compound ID |
CP0510248
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| Compound Name |
US8846929, 28
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| Structure |
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| Formula |
C27H38N4O4
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| Molecular Weight |
482.625
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| Canonical SMILES |
COC(=O)[C@@H]1C[C@@H](O)CN1c1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
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| InChI |
InChI=1S/C27H38N4O4/c1-35-27(34)24-17-21(32)18-30(24)25-26(33)31(23-12-8-7-11-22(23)28-25)20-13-15-29(16-14-20)19-9-5-3-2-4-6-10-19/h7-8,11-12,19-21,24,32H,2-6,9-10,13-18H2,1H3/t21-,24+/m1/s1
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| InChIKey |
OZENIJXJOOOYFL-QPPBQGQZSA-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