General Information of the Compound
| Compound ID |
CP0520774
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| Compound Name |
9-chloro-6-[1-(difluoromethoxy)-2,2,2-trifluoroethyl]-1-(4,6-dimethoxy-2-methylpyrimidin-5-yl)-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole
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| Structure |
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| Formula |
C20H19ClF5N5O3
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| Molecular Weight |
507.847
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| Canonical SMILES |
COc1nc(C)nc(OC)c1N1CCCn2c1nc1c(Cl)ccc(C(OC(F)F)C(F)(F)F)c21
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| InChI |
InChI=1S/C20H19ClF5N5O3/c1-9-27-16(32-2)14(17(28-9)33-3)31-8-4-7-30-13-10(15(20(24,25)26)34-18(22)23)5-6-11(21)12(13)29-19(30)31/h5-6,15,18H,4,7-8H2,1-3H3
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| InChIKey |
JTLZZKGUHLRGOA-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