General Information of the Compound
| Compound ID |
CP0455790
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| Compound Name |
benzyl N-[3-[5-carbamoyl-7-methoxy-2-(pyridine-2-carbonylamino)benzimidazol-1-yl]propyl]carbamate
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| Structure |
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| Formula |
C26H26N6O5
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| Molecular Weight |
502.531
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| Canonical SMILES |
COc1cc(cc2nc(NC(=O)c3ccccn3)n(CCCNC(=O)OCc3ccccc3)c12)C(N)=O
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| InChI |
InChI=1S/C26H26N6O5/c1-36-21-15-18(23(27)33)14-20-22(21)32(25(30-20)31-24(34)19-10-5-6-11-28-19)13-7-12-29-26(35)37-16-17-8-3-2-4-9-17/h2-6,8-11,14-15H,7,12-13,16H2,1H3,(H2,27,33)(H,29,35)(H,30,31,34)
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| InChIKey |
NQLBMNVGWZHBCC-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