General Information of the Compound
| Compound ID |
CP0858413
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| Compound Name |
N-{2-[(E)-2-(4-Chlorophenyl)ethenyl]-5-methylquinazolin-4-yl}hexane-1,6-diamine dihydrochloride
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| Structure |
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| Formula |
C23H30Cl4N4
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| Molecular Weight |
504.333
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| Canonical SMILES |
Cc1cccc2nc(/C=C/c3ccc(Cl)cc3)nc(NCCCCCCN)c12.Cl.Cl.Cl
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| InChI |
InChI=1S/C23H27ClN4.3ClH/c1-17-7-6-8-20-22(17)23(26-16-5-3-2-4-15-25)28-21(27-20)14-11-18-9-12-19(24)13-10-18;;;/h6-14H,2-5,15-16,25H2,1H3,(H,26,27,28);3*1H/b14-11+;;;
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| InChIKey |
XBFBHSBUJMQKQK-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