General Information of the Compound
| Compound ID |
CP0138935
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| Compound Name |
2-[4-(2-hydroxypropan-2-yl)anilino]-3H-benzimidazole-5-carbonitrile
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| Structure |
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| Formula |
C17H16N4O
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| Molecular Weight |
292.342
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| Canonical SMILES |
CC(C)(O)c1ccc(Nc2nc3ccc(cc3[nH]2)C#N)cc1
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| InChI |
InChI=1S/C17H16N4O/c1-17(2,22)12-4-6-13(7-5-12)19-16-20-14-8-3-11(10-18)9-15(14)21-16/h3-9,22H,1-2H3,(H2,19,20,21)
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| InChIKey |
GQWZYHWBIWTFGP-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