General Information of the Compound
| Compound ID |
CP0913584
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| Compound Name |
N-[cis-4-({2-[(E)-2-(4-Chlorophenyl)ethenyl]-6-methylquinazolin-4-yl}amino)cyclohexyl]guanidine dihydrochloride
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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]3CC[C@@H](NC(=N)N)CC3)c2c1.Cl.Cl.Cl
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| InChI |
InChI=1S/C24H27ClN6.3ClH/c1-15-2-12-21-20(14-15)23(28-18-8-10-19(11-9-18)29-24(26)27)31-22(30-21)13-5-16-3-6-17(25)7-4-16;;;/h2-7,12-14,18-19H,8-11H2,1H3,(H4,26,27,29)(H,28,30,31);3*1H/b13-5+;;;/t18-,19+;;;
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| InChIKey |
NPWHIEWQQQVLLM-LMYQBPSUSA-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