General Information of the Compound
| Compound ID |
CP0411262
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| Compound Name |
2-[(3R)-4-[5-[[2-fluoro-4-(tetrazol-1-yl)phenyl]methoxy]pyrimidin-2-yl]-3-methylpiperazin-1-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole
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| Structure |
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| Formula |
C20H18F4N10O2
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| Molecular Weight |
506.424
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| Canonical SMILES |
C[C@@H]1CN(CCN1c1ncc(OCc2ccc(cc2F)-n2cnnn2)cn1)c1nnc(o1)C(F)(F)F
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| InChI |
InChI=1S/C20H18F4N10O2/c1-12-9-32(19-29-28-17(36-19)20(22,23)24)4-5-33(12)18-25-7-15(8-26-18)35-10-13-2-3-14(6-16(13)21)34-11-27-30-31-34/h2-3,6-8,11-12H,4-5,9-10H2,1H3/t12-/m1/s1
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| InChIKey |
AVUCFLHYBFWMSM-GFCCVEGCSA-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