General Information of the Compound
| Compound ID |
CP0385918
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| Compound Name |
tert-butyl 4-[5-[(3-cyanopyridin-4-yl)methoxy]pyrimidin-2-yl]piperazine-1-carboxylate
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| Structure |
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| Formula |
C20H24N6O3
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| Molecular Weight |
396.451
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CCN(CC1)c1ncc(OCc2ccncc2C#N)cn1
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| InChI |
InChI=1S/C20H24N6O3/c1-20(2,3)29-19(27)26-8-6-25(7-9-26)18-23-12-17(13-24-18)28-14-15-4-5-22-11-16(15)10-21/h4-5,11-13H,6-9,14H2,1-3H3
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| InChIKey |
RHLKIVUEHCVGSH-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: PT02455, Glucose-dependent insulinotropic receptor
Protein ID: PT02398, Glucose-dependent insulinotropic receptor