General Information of the Compound
| Compound ID |
CP0913273
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| Compound Name |
(1RS,2RS)-N-{2-[(E)-2-(4-Chlorophenyl)ethenyl]-6-methylquinazolin-4-yl}cyclohexane-1,2-diamine dihydrochloride
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| Structure |
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| Formula |
C23H28Cl4N4
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| Molecular Weight |
502.317
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| Canonical SMILES |
Cc1ccc2nc(/C=C/c3ccc(Cl)cc3)nc(N[C@H]3CCCC[C@@H]3N)c2c1.Cl.Cl.Cl
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| InChI |
InChI=1S/C23H25ClN4.3ClH/c1-15-6-12-20-18(14-15)23(27-21-5-3-2-4-19(21)25)28-22(26-20)13-9-16-7-10-17(24)11-8-16;;;/h6-14,19,21H,2-5,25H2,1H3,(H,26,27,28);3*1H/b13-9+;;;/t19-,21-;;;/m0.../s1
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| InChIKey |
XNYQOVKNFZOLTN-IOSQRWRLSA-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