General Information of the Compound
| Compound ID |
CP0559571
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| Compound Name |
Aminofurazanyl-azabenzimidazole 6i
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| Structure |
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| Formula |
C27H26N8O4
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| Molecular Weight |
526.557
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| Canonical SMILES |
CCn1c(nc2cnc(Oc3cccc(NC(=O)c4ccc(cc4)N4CCOCC4)c3)cc12)-c1nonc1N
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| InChI |
InChI=1S/C27H26N8O4/c1-2-35-22-15-23(29-16-21(22)31-26(35)24-25(28)33-39-32-24)38-20-5-3-4-18(14-20)30-27(36)17-6-8-19(9-7-17)34-10-12-37-13-11-34/h3-9,14-16H,2,10-13H2,1H3,(H2,28,33)(H,30,36)
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| InChIKey |
RVNULYPXBDRAQO-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