General Information of the Compound
| Compound ID |
CP0890134
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| Compound Name |
(R)-4-((2-(4-(5-(2-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl)-2-methylpiperazin-1-yl)pyrimidin-5-yloxy)methyl)nicotinonitrile
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| Structure |
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| Formula |
C21H24N8O3
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| Molecular Weight |
436.476
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| Canonical SMILES |
C[C@@H]1CN(c2noc(C(C)(C)O)n2)CCN1c1ncc(OCc2ccncc2C#N)cn1
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| InChI |
InChI=1S/C21H24N8O3/c1-14-12-28(20-26-18(32-27-20)21(2,3)30)6-7-29(14)19-24-10-17(11-25-19)31-13-15-4-5-23-9-16(15)8-22/h4-5,9-11,14,30H,6-7,12-13H2,1-3H3/t14-/m1/s1
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| InChIKey |
YSEGETUQPPSDLC-CQSZACIVSA-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: PT02455, Glucose-dependent insulinotropic receptor
Protein ID: PT02398, Glucose-dependent insulinotropic receptor