General Information of the Compound
| Compound ID |
CP0530151
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| Compound Name |
US10118915, Compound 285
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| Structure |
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| Formula |
C24H31N5O2
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| Molecular Weight |
421.545
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| Canonical SMILES |
CCc1ccc2nc(N3CCC(CC3)NC3CCOCC3)c(cc2c1)-c1nc(C)no1
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| InChI |
InChI=1S/C24H31N5O2/c1-3-17-4-5-22-18(14-17)15-21(24-25-16(2)28-31-24)23(27-22)29-10-6-19(7-11-29)26-20-8-12-30-13-9-20/h4-5,14-15,19-20,26H,3,6-13H2,1-2H3
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| InChIKey |
BUHJLSMTUCQODW-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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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
Protein ID: PT01515, Mu-type opioid receptor