General Information of the Compound
| Compound ID |
CP0941356
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| Compound Name |
N-{2-[(E)-2-(4-Chlorophenyl)ethenyl]-6-methylquinazolin-4-yl}ethane-1,2-diamine dihydrochloride
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| Structure |
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| Formula |
C19H22Cl4N4
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| Molecular Weight |
448.225
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| Canonical SMILES |
Cc1ccc2nc(/C=C/c3ccc(Cl)cc3)nc(NCCN)c2c1.Cl.Cl.Cl
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| InChI |
InChI=1S/C19H19ClN4.3ClH/c1-13-2-8-17-16(12-13)19(22-11-10-21)24-18(23-17)9-5-14-3-6-15(20)7-4-14;;;/h2-9,12H,10-11,21H2,1H3,(H,22,23,24);3*1H/b9-5+;;;
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| InChIKey |
OHRREGKLFCPSTH-GONNCMOWSA-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