General Information of the Compound
Compound ID |
CP0520566
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Compound Name |
US8846929, 31
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Structure |
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Formula |
C26H39N5O
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Molecular Weight |
437.632
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Canonical SMILES |
O=c1c(NC2CCNCC2)nc2ccccc2n1C1CCN(CC1)C1CCCCCCC1
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InChI |
InChI=1S/C26H39N5O/c32-26-25(28-20-12-16-27-17-13-20)29-23-10-6-7-11-24(23)31(26)22-14-18-30(19-15-22)21-8-4-2-1-3-5-9-21/h6-7,10-11,20-22,27H,1-5,8-9,12-19H2,(H,28,29)
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InChIKey |
DZQXZGHOMFFCGJ-UHFFFAOYSA-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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