General Information of the Compound
| Compound ID |
CP0561668
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| Compound Name |
benzyl N-[3-[5-carbamoyl-7-methoxy-2-[(2-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]propyl]carbamate
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| Structure |
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| Formula |
C25H27N7O5
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| Molecular Weight |
505.535
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| Canonical SMILES |
COc1cc(cc2nc(NC(=O)c3ccnn3C)n(CCCNC(=O)OCc3ccccc3)c12)C(N)=O
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| InChI |
InChI=1S/C25H27N7O5/c1-31-19(9-11-28-31)23(34)30-24-29-18-13-17(22(26)33)14-20(36-2)21(18)32(24)12-6-10-27-25(35)37-15-16-7-4-3-5-8-16/h3-5,7-9,11,13-14H,6,10,12,15H2,1-2H3,(H2,26,33)(H,27,35)(H,29,30,34)
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| InChIKey |
DMELJMMHTGBLQS-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