General Information of the Compound
| Compound ID |
CP0512244
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| Compound Name |
US8846929, 56
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| Structure |
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| Formula |
C24H34N4O4
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| Molecular Weight |
442.56
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| Canonical SMILES |
OC[C@H](Nc1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O)C(O)=O
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| InChI |
InChI=1S/C24H34N4O4/c29-16-20(24(31)32)26-22-23(30)28(21-11-7-6-10-19(21)25-22)18-12-14-27(15-13-18)17-8-4-2-1-3-5-9-17/h6-7,10-11,17-18,20,29H,1-5,8-9,12-16H2,(H,25,26)(H,31,32)/t20-/m0/s1
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| InChIKey |
MQZQATODADHKAK-FQEVSTJZSA-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