General Information of the Compound
| Compound ID |
CP0111947
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| Compound Name |
Benzofuran deriv. 9
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| Structure |
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| Formula |
C24H25ClN4O4
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| Molecular Weight |
468.941
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| Canonical SMILES |
COc1cc2c(Nc3c(Cl)ccc4occc34)ncnc2cc1OCCCN1CCOCC1
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| InChI |
InChI=1S/C24H25ClN4O4/c1-30-21-13-17-19(14-22(21)32-9-2-6-29-7-11-31-12-8-29)26-15-27-24(17)28-23-16-5-10-33-20(16)4-3-18(23)25/h3-5,10,13-15H,2,6-9,11-12H2,1H3,(H,26,27,28)
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| InChIKey |
DYYRSMHBLLWJOD-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