General Information of the Compound
| Compound ID |
CP0894551
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| Compound Name |
2-(4-chlorostyryl)-N-(6-aminohexyl)benzo[g]quinazolin-4-amine dihydrochloride
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| Structure |
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| Formula |
C26H30Cl4N4
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| Molecular Weight |
540.366
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| Canonical SMILES |
Cl.Cl.Cl.NCCCCCCNc1nc(/C=C/c2ccc(Cl)cc2)nc2cc3ccccc3cc12
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| InChI |
InChI=1S/C26H27ClN4.3ClH/c27-22-12-9-19(10-13-22)11-14-25-30-24-18-21-8-4-3-7-20(21)17-23(24)26(31-25)29-16-6-2-1-5-15-28;;;/h3-4,7-14,17-18H,1-2,5-6,15-16,28H2,(H,29,30,31);3*1H/b14-11+;;;
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| InChIKey |
XFBLLRZPZGBOCZ-UWCBQFGESA-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