General Information of the Compound
| Compound ID |
CP0557994
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| Compound Name |
9-chloro-6-[1-(difluoromethoxy)-2,2,2-trifluoroethyl]-1-(6-methoxy-2-methylpyridin-3-yl)-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole
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| Structure |
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| Formula |
C20H18ClF5N4O2
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| Molecular Weight |
476.833
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| Canonical SMILES |
COc1ccc(N2CCCn3c2nc2c(Cl)ccc(C(OC(F)F)C(F)(F)F)c32)c(C)n1
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| InChI |
InChI=1S/C20H18ClF5N4O2/c1-10-13(6-7-14(27-10)31-2)29-8-3-9-30-16-11(17(20(24,25)26)32-18(22)23)4-5-12(21)15(16)28-19(29)30/h4-7,17-18H,3,8-9H2,1-2H3
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| InChIKey |
XAZXBWNDNGSTGF-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