General Information of the Compound
| Compound ID |
CP0459443
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| Compound Name |
ethyl (2R)-2-methyl-3-phenyl-2-[8-[4-(trifluoromethyl)phenyl]pyrazolo[5,1-c][1,2,4]triazin-4-yl]propanoate
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| Structure |
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| Formula |
C24H21F3N4O2
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| Molecular Weight |
454.452
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| Canonical SMILES |
CCOC(=O)[C@](C)(Cc1ccccc1)c1cnnc2c(cnn12)-c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C24H21F3N4O2/c1-3-33-22(32)23(2,13-16-7-5-4-6-8-16)20-15-28-30-21-19(14-29-31(20)21)17-9-11-18(12-10-17)24(25,26)27/h4-12,14-15H,3,13H2,1-2H3/t23-/m1/s1
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| InChIKey |
KDQVKAHGJRGYKP-HSZRJFAPSA-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