General Information of the Compound
| Compound ID |
CP0413542
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| Compound Name |
methyl 3-benzyl-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 |
C25H20F3N3O2
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| Molecular Weight |
451.448
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| Canonical SMILES |
COC(=O)C1(Cc2ccccc2)CCc2cnc3c(cnn3c12)-c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C25H20F3N3O2/c1-33-23(32)24(13-16-5-3-2-4-6-16)12-11-18-14-29-22-20(15-30-31(22)21(18)24)17-7-9-19(10-8-17)25(26,27)28/h2-10,14-15H,11-13H2,1H3
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| InChIKey |
VCYFNULZYBZHRG-UHFFFAOYSA-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