General Information of the Compound
| Compound ID |
CP0434820
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| Compound Name |
benzyl N-[3-[5-carbamoyl-7-(3-morpholin-4-ylpropoxy)-2-(pyridazine-3-carbonylamino)benzimidazol-1-yl]propyl]carbamate
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| Structure |
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| Formula |
C31H36N8O6
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| Molecular Weight |
616.679
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| Canonical SMILES |
NC(=O)c1cc(OCCCN2CCOCC2)c2n(CCCNC(=O)OCc3ccccc3)c(NC(=O)c3cccnn3)nc2c1
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| InChI |
InChI=1S/C31H36N8O6/c32-28(40)23-19-25-27(26(20-23)44-16-6-12-38-14-17-43-18-15-38)39(30(35-25)36-29(41)24-9-4-11-34-37-24)13-5-10-33-31(42)45-21-22-7-2-1-3-8-22/h1-4,7-9,11,19-20H,5-6,10,12-18,21H2,(H2,32,40)(H,33,42)(H,35,36,41)
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| InChIKey |
HZOLIOZHQIJXQV-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