General Information of the Compound
| Compound ID |
CP0549022
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| Compound Name |
9-chloro-1-(2,4-dichlorophenyl)-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 |
C19H13Cl3F5N3O
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| Molecular Weight |
500.682
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| Canonical SMILES |
FC(F)OC(c1ccc(Cl)c2nc3N(CCCn3c12)c1ccc(Cl)cc1Cl)C(F)(F)F
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| InChI |
InChI=1S/C19H13Cl3F5N3O/c20-9-2-5-13(12(22)8-9)29-6-1-7-30-15-10(16(19(25,26)27)31-17(23)24)3-4-11(21)14(15)28-18(29)30/h2-5,8,16-17H,1,6-7H2
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| InChIKey |
ASFVQKOOXZINSN-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