General Information of the Compound
| Compound ID |
CP0863688
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| Compound Name |
1-(4'-Chlorobenzyl)biguanide dihydrochloride
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| Structure |
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| Formula |
C9H14Cl3N5
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| Molecular Weight |
298.605
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| Canonical SMILES |
Cl.Cl.NC(N)=N/C(N)=N/Cc1ccc(Cl)cc1
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| InChI |
InChI=1S/C9H12ClN5.2ClH/c10-7-3-1-6(2-4-7)5-14-9(13)15-8(11)12;;/h1-4H,5H2,(H6,11,12,13,14,15);2*1H
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| InChIKey |
KJRIOEYVFBUFTA-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
Protein ID: PT03226, Trace amine-associated receptor 1
Protein ID: PT04763, Trace amine-associated receptor 1
Protein ID: PT06391, Trace amine-associated receptor 5