General Information of the Compound
| Compound ID |
CP0519154
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| Compound Name |
US8846929, 59
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| Structure |
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| Formula |
C27H39N5O2
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| Molecular Weight |
465.642
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| Canonical SMILES |
CC(=O)N[C@H]1CCN(C1)c1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
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| InChI |
InChI=1S/C27H39N5O2/c1-20(33)28-21-13-16-31(19-21)26-27(34)32(25-12-8-7-11-24(25)29-26)23-14-17-30(18-15-23)22-9-5-3-2-4-6-10-22/h7-8,11-12,21-23H,2-6,9-10,13-19H2,1H3,(H,28,33)/t21-/m0/s1
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| InChIKey |
HQXPOYRHGQLBJW-NRFANRHFSA-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