General Information of the Compound
| Compound ID |
CP0250773
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| Compound Name |
1-(azetidin-1-yl)-2-[2,6-difluoro-4-[2-[(1S,2R)-2-[1-[5-(methoxymethyl)pyrimidin-2-yl]piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone
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| Structure |
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| Formula |
C27H34F2N4O3
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| Molecular Weight |
500.59
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| Canonical SMILES |
COCc1cnc(nc1)N1CCC(CC1)[C@H]1C[C@H]1CCOc1cc(F)c(CC(=O)N2CCC2)c(F)c1
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| InChI |
InChI=1S/C27H34F2N4O3/c1-35-17-18-15-30-27(31-16-18)33-8-3-19(4-9-33)22-11-20(22)5-10-36-21-12-24(28)23(25(29)13-21)14-26(34)32-6-2-7-32/h12-13,15-16,19-20,22H,2-11,14,17H2,1H3/t20-,22-/m1/s1
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| InChIKey |
QWNGDOXELSIKNT-IFMALSPDSA-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