General Information of the Compound
| Compound ID |
CP0398767
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| Compound Name |
ethyl (2R)-2-[6-chloro-3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]-2-methyl-3-phenylpropanoate
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| Structure |
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| Formula |
C25H21ClF3N3O2
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| Molecular Weight |
487.909
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| Canonical SMILES |
CCOC(=O)[C@](C)(Cc1ccccc1)c1c(Cl)cnc2c(cnn12)-c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C25H21ClF3N3O2/c1-3-34-23(33)24(2,13-16-7-5-4-6-8-16)21-20(26)15-30-22-19(14-31-32(21)22)17-9-11-18(12-10-17)25(27,28)29/h4-12,14-15H,3,13H2,1-2H3/t24-/m1/s1
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| InChIKey |
WLBFJSWAVVNSGS-XMMPIXPASA-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