General Information of the Compound
| Compound ID |
CP0524700
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| Compound Name |
2-[4-[2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]phenoxy]acetamide
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| Structure |
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| Formula |
C18H14N4O2
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| Molecular Weight |
318.336
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| Canonical SMILES |
NC(=O)COc1ccc(C=C(C#N)c2nc3ccccc3[nH]2)cc1
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| InChI |
InChI=1S/C18H14N4O2/c19-10-13(18-21-15-3-1-2-4-16(15)22-18)9-12-5-7-14(8-6-12)24-11-17(20)23/h1-9H,11H2,(H2,20,23)(H,21,22)
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| InChIKey |
MBFPFSFTDWMDHV-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