General Information of the Compound
| Compound ID |
CP0440595
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| Compound Name |
7,8-dichloro-1-(thiophen-2-ylmethylamino)-3-(trifluoromethyl)pyrido[1,2-a]benzimidazole-4-carbonitrile
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| Structure |
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| Formula |
C18H9Cl2F3N4S
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| Molecular Weight |
441.265
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| Canonical SMILES |
FC(F)(F)c1cc(NCc2cccs2)n2c3cc(Cl)c(Cl)cc3nc2c1C#N
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| InChI |
InChI=1S/C18H9Cl2F3N4S/c19-12-5-14-15(6-13(12)20)27-16(25-8-9-2-1-3-28-9)4-11(18(21,22)23)10(7-24)17(27)26-14/h1-6,25H,8H2
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| InChIKey |
WTPGLODELJYTAI-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