General Information of the Compound
| Compound ID |
CP0902073
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| Compound Name |
2-[3-(Imidazol-4-yl)-propyl]-1-[2-(4-methoxy-phenyl)-ethyl]-isothiourea dihydrobromide
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| Structure |
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| Formula |
C16H24Br2N4OS
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| Molecular Weight |
480.27
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| Canonical SMILES |
Br.Br.COc1ccc(CCNC(=N)SCCCc2c[nH]cn2)cc1
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| InChI |
InChI=1S/C16H22N4OS.2BrH/c1-21-15-6-4-13(5-7-15)8-9-19-16(17)22-10-2-3-14-11-18-12-20-14;;/h4-7,11-12H,2-3,8-10H2,1H3,(H2,17,19)(H,18,20);2*1H
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| InChIKey |
OLSYHXUHRDKJAJ-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