General Information of the Compound
| Compound ID |
CP0538020
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| Compound Name |
1-[6-ethyl-8-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3R)-oxan-3-yl]piperidin-4-amine
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| Structure |
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| Formula |
C24H30FN5O2
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| Molecular Weight |
439.535
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| Canonical SMILES |
CCc1cc(F)c2nc(N3CCC(CC3)N[C@@H]3CCCOC3)c(cc2c1)-c1nc(C)no1
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| InChI |
InChI=1S/C24H30FN5O2/c1-3-16-11-17-13-20(24-26-15(2)29-32-24)23(28-22(17)21(25)12-16)30-8-6-18(7-9-30)27-19-5-4-10-31-14-19/h11-13,18-19,27H,3-10,14H2,1-2H3/t19-/m1/s1
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| InChIKey |
NWDCTXUFRKENTN-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