General Information of the Compound
| Compound ID |
CP0941355
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| Compound Name |
N-{6-tert-Butyl-2-[(E)-2-(4-chlorophenyl)ethenyl]-quinazolin-4-yl}hexane-1,6-diamine dihydrochloride
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| Structure |
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| Formula |
C26H36Cl4N4
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| Molecular Weight |
546.414
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| Canonical SMILES |
CC(C)(C)c1ccc2nc(/C=C/c3ccc(Cl)cc3)nc(NCCCCCCN)c2c1.Cl.Cl.Cl
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| InChI |
InChI=1S/C26H33ClN4.3ClH/c1-26(2,3)20-11-14-23-22(18-20)25(29-17-7-5-4-6-16-28)31-24(30-23)15-10-19-8-12-21(27)13-9-19;;;/h8-15,18H,4-7,16-17,28H2,1-3H3,(H,29,30,31);3*1H/b15-10+;;;
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| InChIKey |
QGAVUQUXYLKVPJ-RJQKUYQSSA-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