General Information of the Compound
| Compound ID |
CP0076836
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| Compound Name |
(Z)-3-[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]-2-phenyl-prop-2-enenitrile
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| Structure |
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| Formula |
C20H13N3OS
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| Molecular Weight |
343.411
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| Canonical SMILES |
N#C\C(=C/c1ccc(Sc2nc3ccccc3[nH]2)o1)c1ccccc1
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| InChI |
InChI=1S/C20H13N3OS/c21-13-15(14-6-2-1-3-7-14)12-16-10-11-19(24-16)25-20-22-17-8-4-5-9-18(17)23-20/h1-12H,(H,22,23)/b15-12+
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| InChIKey |
UHGOFLWGJOLRDX-NTCAYCPXSA-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: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06172, Mothers against decapentaplegic homolog 3