General Information of the Compound
| Compound ID |
CP0690692
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| Compound Name |
(R)-3-(trifluoromethyl)oxetan-3-yl 4-(5-((3-cyanopyridin-4-yl)methoxy)pyrimidin-2-yl)-3-methylpiperazine-1-carboxylate
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| Structure |
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| Formula |
C21H21F3N6O4
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| Molecular Weight |
478.431
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| Canonical SMILES |
C[C@@H]1CN(C(=O)OC2(C(F)(F)F)COC2)CCN1c1ncc(OCc2ccncc2C#N)cn1
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| InChI |
InChI=1S/C21H21F3N6O4/c1-14-10-29(19(31)34-20(12-32-13-20)21(22,23)24)4-5-30(14)18-27-8-17(9-28-18)33-11-15-2-3-26-7-16(15)6-25/h2-3,7-9,14H,4-5,10-13H2,1H3/t14-/m1/s1
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| InChIKey |
GFSWORTTYOAWML-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