General Information of the Compound
| Compound ID |
CP0552615
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| Compound Name |
benzyl N-[3-[5-carbamoyl-7-(3-morpholin-4-ylpropoxy)-2-(pyridine-2-carbonylamino)benzimidazol-1-yl]propyl]carbamate
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| Structure |
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| Formula |
C32H37N7O6
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| Molecular Weight |
615.691
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| Canonical SMILES |
NC(=O)c1cc(OCCCN2CCOCC2)c2n(CCCNC(=O)OCc3ccccc3)c(NC(=O)c3ccccn3)nc2c1
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| InChI |
InChI=1S/C32H37N7O6/c33-29(40)24-20-26-28(27(21-24)44-17-7-13-38-15-18-43-19-16-38)39(31(36-26)37-30(41)25-10-4-5-11-34-25)14-6-12-35-32(42)45-22-23-8-2-1-3-9-23/h1-5,8-11,20-21H,6-7,12-19,22H2,(H2,33,40)(H,35,42)(H,36,37,41)
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| InChIKey |
GDSDKXXXRBOAOU-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