General Information of the Compound
| Compound ID |
CP0454952
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| Compound Name |
3-[3-(1-ethylpropyl)-2-thioxo-2,3-dihydro-1H-benzimidazol-5-yl]-5-fluorobenzonitrile
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| Structure |
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| Formula |
C19H18FN3S
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| Molecular Weight |
339.439
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| Canonical SMILES |
CCC(CC)n1c2cc(ccc2[nH]c1=S)-c1cc(F)cc(c1)C#N
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| InChI |
InChI=1S/C19H18FN3S/c1-3-16(4-2)23-18-10-13(5-6-17(18)22-19(23)24)14-7-12(11-21)8-15(20)9-14/h5-10,16H,3-4H2,1-2H3,(H,22,24)
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| InChIKey |
JKGTWCQLIXJOMU-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