General Information of the Compound
| Compound ID |
CP0868780
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| Compound Name |
(R)-tetrahydro-2H-pyran-4-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 |
C22H26N6O4
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| Molecular Weight |
438.488
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| Canonical SMILES |
C[C@@H]1CN(C(=O)OC2CCOCC2)CCN1c1ncc(OCc2ccncc2C#N)cn1
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| InChI |
InChI=1S/C22H26N6O4/c1-16-14-27(22(29)32-19-3-8-30-9-4-19)6-7-28(16)21-25-12-20(13-26-21)31-15-17-2-5-24-11-18(17)10-23/h2,5,11-13,16,19H,3-4,6-9,14-15H2,1H3/t16-/m1/s1
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| InChIKey |
UYNRXHLOVGNPCH-MRXNPFEDSA-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