General Information of the Compound
| Compound ID |
CP0269948
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| Compound Name |
2-[4-[2-[(1S,2R)-2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]acetamide
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| Structure |
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| Formula |
C22H27ClN4O2
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| Molecular Weight |
414.937
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| Canonical SMILES |
NC(=O)Cc1ccc(OCC[C@@H]2C[C@@H]2C2CCN(CC2)c2ncc(Cl)cn2)cc1
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| InChI |
InChI=1S/C22H27ClN4O2/c23-18-13-25-22(26-14-18)27-8-5-16(6-9-27)20-12-17(20)7-10-29-19-3-1-15(2-4-19)11-21(24)28/h1-4,13-14,16-17,20H,5-12H2,(H2,24,28)/t17-,20-/m1/s1
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| InChIKey |
XCICMCXDPJWUCN-YLJYHZDGSA-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