General Information of the Compound
| Compound ID |
CP0424752
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| Compound Name |
2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-7-methoxy-1-(3-methylbutyl)benzimidazole-5-carboxamide
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| Structure |
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| Formula |
C21H28N6O3
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| Molecular Weight |
412.494
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| Canonical SMILES |
CCn1nc(C)cc1C(=O)Nc1nc2cc(cc(OC)c2n1CCC(C)C)C(N)=O
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| InChI |
InChI=1S/C21H28N6O3/c1-6-27-16(9-13(4)25-27)20(29)24-21-23-15-10-14(19(22)28)11-17(30-5)18(15)26(21)8-7-12(2)3/h9-12H,6-8H2,1-5H3,(H2,22,28)(H,23,24,29)
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| InChIKey |
DCEYGORQYPAXRP-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