General Information of the Compound
| Compound ID |
CP0551716
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| Compound Name |
benzyl N-[3-[5-carbamoyl-7-(3-methoxypropoxy)-2-(pyridine-2-carbonylamino)benzimidazol-1-yl]propyl]carbamate
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| Structure |
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| Formula |
C29H32N6O6
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| Molecular Weight |
560.611
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| Canonical SMILES |
COCCCOc1cc(cc2nc(NC(=O)c3ccccn3)n(CCCNC(=O)OCc3ccccc3)c12)C(N)=O
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| InChI |
InChI=1S/C29H32N6O6/c1-39-15-8-16-40-24-18-21(26(30)36)17-23-25(24)35(28(33-23)34-27(37)22-11-5-6-12-31-22)14-7-13-32-29(38)41-19-20-9-3-2-4-10-20/h2-6,9-12,17-18H,7-8,13-16,19H2,1H3,(H2,30,36)(H,32,38)(H,33,34,37)
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| InChIKey |
OZZHQBAJXQKFQO-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