General Information of the Compound
| Compound ID |
CP0890135
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| Compound Name |
(R)-3-isopropyloxetan-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 |
C23H28N6O4
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| Molecular Weight |
452.515
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| Canonical SMILES |
CC(C)C1(OC(=O)N2CCN(c3ncc(OCc4ccncc4C#N)cn3)[C@H](C)C2)COC1
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| InChI |
InChI=1S/C23H28N6O4/c1-16(2)23(14-31-15-23)33-22(30)28-6-7-29(17(3)12-28)21-26-10-20(11-27-21)32-13-18-4-5-25-9-19(18)8-24/h4-5,9-11,16-17H,6-7,12-15H2,1-3H3/t17-/m1/s1
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| InChIKey |
DDYCBJGOQOUBLC-QGZVFWFLSA-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