General Information of the Compound
| Compound ID |
CP0378236
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| Compound Name |
5-chloro-2-(4-((1R,2S)-2-(2-(5-(methylsulfonyl)pyridin-2-yloxy)ethyl)cyclopropyl)piperidin-1-yl)pyrimidine
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| Synonyms |
BDBM50342699
GTPL5748
PMID21273063C58
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| Structure |
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| Formula |
C20H25ClN4O3S
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| Molecular Weight |
436.965
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| Canonical SMILES |
CS(=O)(=O)c1ccc(OCC[C@@H]2C[C@@H]2C2CCN(CC2)c2ncc(Cl)cn2)nc1
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| InChI |
InChI=1S/C20H25ClN4O3S/c1-29(26,27)17-2-3-19(22-13-17)28-9-6-15-10-18(15)14-4-7-25(8-5-14)20-23-11-16(21)12-24-20/h2-3,11-15,18H,4-10H2,1H3/t15-,18-/m1/s1
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| InChIKey |
XFJBGINZIMNZBW-CRAIPNDOSA-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
Clinical Information about the Compound