General Information of the Compound
| Compound ID |
CP0112328
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| Compound Name |
2-[4-[2-[(1S,2R)-2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]-2-fluorophenyl]-1-piperidin-1-ylethanone
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| Structure |
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| Formula |
C27H34ClFN4O2
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| Molecular Weight |
501.046
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| Canonical SMILES |
Fc1cc(OCC[C@@H]2C[C@@H]2C2CCN(CC2)c2ncc(Cl)cn2)ccc1CC(=O)N1CCCCC1
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| InChI |
InChI=1S/C27H34ClFN4O2/c28-22-17-30-27(31-18-22)33-11-6-19(7-12-33)24-14-20(24)8-13-35-23-5-4-21(25(29)16-23)15-26(34)32-9-2-1-3-10-32/h4-5,16-20,24H,1-3,6-15H2/t20-,24-/m1/s1
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| InChIKey |
NTDKBSAIEZAUKX-HYBUGGRVSA-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