General Information of the Compound
| Compound ID |
CP0875997
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| Compound Name |
3-(1H-imidazol-4-yl)propyl N-butyl-N'-(3,4-dichlorobenzyl)carbamimidothioate dihydrobromide
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| Structure |
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| Formula |
C18H25BrCl2N4S
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| Molecular Weight |
480.303
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| Canonical SMILES |
Br.CCCCN/C(=N/Cc1ccc(Cl)c(Cl)c1)SCCCc1c[nH]cn1
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| InChI |
InChI=1S/C18H24Cl2N4S.BrH/c1-2-3-8-22-18(25-9-4-5-15-12-21-13-24-15)23-11-14-6-7-16(19)17(20)10-14;/h6-7,10,12-13H,2-5,8-9,11H2,1H3,(H,21,24)(H,22,23);1H
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| InChIKey |
JTJLTNVDXXSJCG-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