General Information of the Compound
| Compound ID |
CP0873064
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| Compound Name |
3-(1H-imidazol-4-yl)propyl N-benzyl-N'-(3,4-dichlorobenzyl)carbamimidothioate dihydrobromide
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| Structure |
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| Formula |
C21H23BrCl2N4S
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| Molecular Weight |
514.32
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| Canonical SMILES |
Br.Clc1ccc(C/N=C(/NCc2ccccc2)SCCCc2c[nH]cn2)cc1Cl
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| InChI |
InChI=1S/C21H22Cl2N4S.BrH/c22-19-9-8-17(11-20(19)23)13-26-21(25-12-16-5-2-1-3-6-16)28-10-4-7-18-14-24-15-27-18;/h1-3,5-6,8-9,11,14-15H,4,7,10,12-13H2,(H,24,27)(H,25,26);1H
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| InChIKey |
YAXVZDBNJQPXMJ-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: PT01194, Histamine H3 receptor
Protein ID: PT01711, Histamine H4 receptor