General Information of the Compound
| Compound ID |
CP0152790
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| Compound Name |
1-chloranyl-7,8-bis(fluoranyl)-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile
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| Structure |
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| Formula |
C13H6ClF2N3
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| Molecular Weight |
277.661
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| Canonical SMILES |
Cc1cc(Cl)n2c(nc3cc(F)c(F)cc23)c1C#N
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| InChI |
InChI=1S/C13H6ClF2N3/c1-6-2-12(14)19-11-4-9(16)8(15)3-10(11)18-13(19)7(6)5-17/h2-4H,1H3
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| InChIKey |
ZRMURZLAKFYTGW-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
Protein ID: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06172, Mothers against decapentaplegic homolog 3