General Information of the Compound
| Compound ID |
CP0852004
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| Compound Name |
2-[3-(Imidazol-4-yl)-propyl]-1-(3,4-dichloro-benzyl)-isothiourea dihydrobromide
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| Structure |
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| Formula |
C14H18Br2Cl2N4S
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| Molecular Weight |
505.107
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| Canonical SMILES |
Br.Br.N=C(NCc1ccc(Cl)c(Cl)c1)SCCCc1c[nH]cn1
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| InChI |
InChI=1S/C14H16Cl2N4S.2BrH/c15-12-4-3-10(6-13(12)16)7-19-14(17)21-5-1-2-11-8-18-9-20-11;;/h3-4,6,8-9H,1-2,5,7H2,(H2,17,19)(H,18,20);2*1H
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| InChIKey |
RZRRLPLELFBMKS-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