General Information of the Compound
| Compound ID |
CP0918606
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| Compound Name |
(1RS,2SR)-N-[2-({2-[(E)-2-(4-Chlorophenyl)ethenyl]-6-methylquinazolin-4-yl}amino)cyclohexyl]guanidine dihydrochloride
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| Structure |
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| Formula |
C24H30Cl4N6
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| Molecular Weight |
544.358
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| Canonical SMILES |
Cc1ccc2nc(/C=C/c3ccc(Cl)cc3)nc(N[C@H]3CCCC[C@H]3NC(=N)N)c2c1.Cl.Cl.Cl
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| InChI |
InChI=1S/C24H27ClN6.3ClH/c1-15-6-12-19-18(14-15)23(29-20-4-2-3-5-21(20)30-24(26)27)31-22(28-19)13-9-16-7-10-17(25)11-8-16;;;/h6-14,20-21H,2-5H2,1H3,(H4,26,27,30)(H,28,29,31);3*1H/b13-9+;;;/t20-,21+;;;/m0.../s1
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| InChIKey |
AMCWXNQITISICH-NKEJUGFZSA-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