General Information of the Compound
| Compound ID |
CP0425782
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| Compound Name |
ethyl (9R)-9-benzyl-3-[4-(trifluoromethyl)phenyl]-7,8-dihydro-6H-pyrazolo[1,5-a]quinazoline-9-carboxylate
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| Structure |
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| Formula |
C27H24F3N3O2
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| Molecular Weight |
479.502
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| Canonical SMILES |
CCOC(=O)[C@@]1(Cc2ccccc2)CCCc2cnc3c(cnn3c12)-c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C27H24F3N3O2/c1-2-35-25(34)26(15-18-7-4-3-5-8-18)14-6-9-20-16-31-24-22(17-32-33(24)23(20)26)19-10-12-21(13-11-19)27(28,29)30/h3-5,7-8,10-13,16-17H,2,6,9,14-15H2,1H3/t26-/m1/s1
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| InChIKey |
BHFTZDZOYKINDA-AREMUKBSSA-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