General Information of the Compound
| Compound ID |
CP0426009
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| Compound Name |
1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3R)-oxolan-3-yl]piperidin-4-amine
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| Structure |
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| Formula |
C23H29N5O2
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| Molecular Weight |
407.518
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| Canonical SMILES |
CCc1ccc2nc(N3CCC(CC3)N[C@@H]3CCOC3)c(cc2c1)-c1nc(C)no1
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| InChI |
InChI=1S/C23H29N5O2/c1-3-16-4-5-21-17(12-16)13-20(23-24-15(2)27-30-23)22(26-21)28-9-6-18(7-10-28)25-19-8-11-29-14-19/h4-5,12-13,18-19,25H,3,6-11,14H2,1-2H3/t19-/m1/s1
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| InChIKey |
XCHRRQAQQMSBHL-LJQANCHMSA-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