General Information of the Compound
| Compound ID |
CP0529158
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| Compound Name |
9-chloro-1-(4,6-diethyl-2-methylpyrimidin-5-yl)-6-[1-(difluoromethoxy)-2,2,2-trifluoroethyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole
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| Structure |
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| Formula |
C22H23ClF5N5O
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| Molecular Weight |
503.903
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| Canonical SMILES |
CCc1nc(C)nc(CC)c1N1CCCn2c1nc1c(Cl)ccc(C(OC(F)F)C(F)(F)F)c21
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| InChI |
InChI=1S/C22H23ClF5N5O/c1-4-14-18(15(5-2)30-11(3)29-14)33-10-6-9-32-17-12(19(22(26,27)28)34-20(24)25)7-8-13(23)16(17)31-21(32)33/h7-8,19-20H,4-6,9-10H2,1-3H3
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| InChIKey |
VNGQLFDQQZOYCQ-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