General Information of the Compound
| Compound ID |
CP0881291
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| Compound Name |
(R)-4-((2-(2-methyl-4-(5-(3-methyloxetan-3-yl)-1,2,4-oxadiazol-3-yl)piperazin-1-yl)pyrimidin-5-yloxy)methyl)nicotinonitrile
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| Structure |
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| Formula |
C22H24N8O3
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| Molecular Weight |
448.487
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| Canonical SMILES |
C[C@@H]1CN(c2noc(C3(C)COC3)n2)CCN1c1ncc(OCc2ccncc2C#N)cn1
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| InChI |
InChI=1S/C22H24N8O3/c1-15-11-29(21-27-19(33-28-21)22(2)13-31-14-22)5-6-30(15)20-25-9-18(10-26-20)32-12-16-3-4-24-8-17(16)7-23/h3-4,8-10,15H,5-6,11-14H2,1-2H3/t15-/m1/s1
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| InChIKey |
KDUFKSXCNQIELO-OAHLLOKOSA-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