General Information of the Compound
| Compound ID |
CP0498773
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| Compound Name |
2-(6-((4,5-dimethyloxazol-2-ylthio)methyl)-4-morpholinopyridin-2-ylamino)acetonitrile
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| Structure |
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| Formula |
C17H21N5O2S
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| Molecular Weight |
359.455
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| Canonical SMILES |
Cc1nc(SCc2cc(cc(NCC#N)n2)N2CCOCC2)oc1C
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| InChI |
InChI=1S/C17H21N5O2S/c1-12-13(2)24-17(20-12)25-11-14-9-15(22-5-7-23-8-6-22)10-16(21-14)19-4-3-18/h9-10H,4-8,11H2,1-2H3,(H,19,21)
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| InChIKey |
JRMVDMAILBAAPT-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