General Information of the Compound
| Compound ID |
CP0475807
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| Compound Name |
methyl (3R)-3-[(3-fluorophenyl)methyl]-10-[4-(trifluoromethyl)phenyl]-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-3-carboxylate
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| Structure |
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| Formula |
C25H19F4N3O2
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| Molecular Weight |
469.438
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| Canonical SMILES |
COC(=O)[C@@]1(Cc2cccc(F)c2)CCc2cnc3c(cnn3c12)-c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C25H19F4N3O2/c1-34-23(33)24(12-15-3-2-4-19(26)11-15)10-9-17-13-30-22-20(14-31-32(22)21(17)24)16-5-7-18(8-6-16)25(27,28)29/h2-8,11,13-14H,9-10,12H2,1H3/t24-/m1/s1
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| InChIKey |
ICKZZHZSLWRRAL-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