General Information of the Compound
| Compound ID |
CP0483328
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| Compound Name |
2-(4-tert-butylanilino)-6-methyl-1H-benzimidazole-5-carbonitrile
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| Structure |
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| Formula |
C19H20N4
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| Molecular Weight |
304.397
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| Canonical SMILES |
Cc1cc2nc(Nc3ccc(cc3)C(C)(C)C)[nH]c2cc1C#N
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| InChI |
InChI=1S/C19H20N4/c1-12-9-16-17(10-13(12)11-20)23-18(22-16)21-15-7-5-14(6-8-15)19(2,3)4/h5-10H,1-4H3,(H2,21,22,23)
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| InChIKey |
ZMODJJYUAHGGIS-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