General Information of the Compound
| Compound ID |
CP0365277
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| Compound Name |
2-[4-[2-[(1S,2R)-2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-N-cyclopropylacetamide
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| Structure |
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| Formula |
C25H31ClN4O2
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| Molecular Weight |
455.002
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| Canonical SMILES |
Clc1cnc(nc1)N1CCC(CC1)[C@H]1C[C@H]1CCOc1ccc(CC(=O)NC2CC2)cc1
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| InChI |
InChI=1S/C25H31ClN4O2/c26-20-15-27-25(28-16-20)30-10-7-18(8-11-30)23-14-19(23)9-12-32-22-5-1-17(2-6-22)13-24(31)29-21-3-4-21/h1-2,5-6,15-16,18-19,21,23H,3-4,7-14H2,(H,29,31)/t19-,23-/m1/s1
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| InChIKey |
TXTDBHGRQKDAGP-AUSIDOKSSA-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: PT02398, Glucose-dependent insulinotropic receptor
Protein ID: PT02455, Glucose-dependent insulinotropic receptor