General Information of the Compound
| Compound ID |
CP0454950
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| Compound Name |
3-(3-cyclobutyl-2-thioxo-2,3-dihydro-1H-benzimidazol-5-yl)-5-fluorobenzonitrile
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| Structure |
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| Formula |
C18H14FN3S
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| Molecular Weight |
323.396
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| Canonical SMILES |
Fc1cc(cc(c1)-c1ccc2[nH]c(=S)n(C3CCC3)c2c1)C#N
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| InChI |
InChI=1S/C18H14FN3S/c19-14-7-11(10-20)6-13(8-14)12-4-5-16-17(9-12)22(18(23)21-16)15-2-1-3-15/h4-9,15H,1-3H2,(H,21,23)
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| InChIKey |
CUPMKQRSISGSTC-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