General Information of the Compound
| Compound ID |
CP0461619
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| Compound Name |
2-(4-morpholino-6-((1,4,5-trimethyl-1H-imidazol-2-ylthio)methyl)pyridin-2-ylamino)acetonitrile
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| Structure |
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| Formula |
C18H24N6OS
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| Molecular Weight |
372.498
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| Canonical SMILES |
Cc1nc(SCc2cc(cc(NCC#N)n2)N2CCOCC2)n(C)c1C
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| InChI |
InChI=1S/C18H24N6OS/c1-13-14(2)23(3)18(21-13)26-12-15-10-16(24-6-8-25-9-7-24)11-17(22-15)20-5-4-19/h10-11H,5-9,12H2,1-3H3,(H,20,22)
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| InChIKey |
BVDPSUAZHYUEMT-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: PT02259, Neuropeptide Y receptor type 1
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2