General Information of the Compound
| Compound ID |
CP0480128
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| Compound Name |
[3-fluoro-4-[[2-[(2R)-2-methyl-4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]pyrimidin-5-yl]oxymethyl]phenyl]imino-dimethyl-oxo-lambda6-sulfane
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| Structure |
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| Formula |
C21H23F4N7O3S
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| Molecular Weight |
529.52
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| Canonical SMILES |
C[C@@H]1CN(CCN1c1ncc(OCc2ccc(cc2F)N=S(C)(C)=O)cn1)c1nc(no1)C(F)(F)F
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| InChI |
InChI=1S/C21H23F4N7O3S/c1-13-11-31(20-28-18(29-35-20)21(23,24)25)6-7-32(13)19-26-9-16(10-27-19)34-12-14-4-5-15(8-17(14)22)30-36(2,3)33/h4-5,8-10,13H,6-7,11-12H2,1-3H3/t13-/m1/s1
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| InChIKey |
XHLVPOJFTMKAHC-CYBMUJFWSA-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: PT02398, Glucose-dependent insulinotropic receptor
Protein ID: PT02455, Glucose-dependent insulinotropic receptor