General Information of the Compound
| Compound ID |
CP0553869
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| Compound Name |
2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-7-(3-hydroxypropoxy)-1-propylbenzimidazole-5-carboxamide
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| Structure |
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| Formula |
C21H28N6O4
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| Molecular Weight |
428.493
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| Canonical SMILES |
CCCn1c(NC(=O)c2cc(C)nn2CC)nc2cc(cc(OCCCO)c12)C(N)=O
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| InChI |
InChI=1S/C21H28N6O4/c1-4-7-26-18-15(11-14(19(22)29)12-17(18)31-9-6-8-28)23-21(26)24-20(30)16-10-13(3)25-27(16)5-2/h10-12,28H,4-9H2,1-3H3,(H2,22,29)(H,23,24,30)
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| InChIKey |
JXZLXNWROIKYDD-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