General Information of the Compound
| Compound ID |
CP0387586
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| Compound Name |
9-chloro-6-[1-(difluoromethoxy)-2,2,2-trifluoroethyl]-1-(2-ethyl-4,6-dimethylpyrimidin-5-yl)-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole
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| Structure |
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| Formula |
C21H21ClF5N5O
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| Molecular Weight |
489.876
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| Canonical SMILES |
CCc1nc(C)c(N2CCCn3c2nc2c(Cl)ccc(C(OC(F)F)C(F)(F)F)c32)c(C)n1
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| InChI |
InChI=1S/C21H21ClF5N5O/c1-4-14-28-10(2)16(11(3)29-14)31-8-5-9-32-17-12(18(21(25,26)27)33-19(23)24)6-7-13(22)15(17)30-20(31)32/h6-7,18-19H,4-5,8-9H2,1-3H3
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| InChIKey |
BVFHZVLYHNWSJG-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