General Information of the Compound
| Compound ID |
CP0545565
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| Compound Name |
1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3-methyloxetan-3-yl)methyl]piperidin-4-amine
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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)NCC3(C)COC3)c(cc2c1)-c1nc(C)no1
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| InChI |
InChI=1S/C24H31N5O2/c1-4-17-5-6-21-18(11-17)12-20(23-26-16(2)28-31-23)22(27-21)29-9-7-19(8-10-29)25-13-24(3)14-30-15-24/h5-6,11-12,19,25H,4,7-10,13-15H2,1-3H3
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| InChIKey |
MYBQADLXDCDTFA-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