General Information of the Compound
| Compound ID |
CP0908266
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| Compound Name |
1-(3,4-Dimethoxybenzyl)biguanide dihydrochloride
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| Structure |
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| Formula |
C11H19Cl2N5O2
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| Molecular Weight |
324.212
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| Canonical SMILES |
COc1ccc(C/N=C(\N)N=C(N)N)cc1OC.Cl.Cl
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| InChI |
InChI=1S/C11H17N5O2.2ClH/c1-17-8-4-3-7(5-9(8)18-2)6-15-11(14)16-10(12)13;;/h3-5H,6H2,1-2H3,(H6,12,13,14,15,16);2*1H
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| InChIKey |
OFTYFZGBIAJGOG-UHFFFAOYSA-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