General Information of the Compound
| Compound ID |
CP0406981
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| Compound Name |
1-[4-[2-(diethylamino)ethoxy]phenyl]-3-[4-(2-methylpropoxy)phenyl]thiourea
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| Structure |
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| Formula |
C23H33N3O2S
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| Molecular Weight |
415.603
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| Canonical SMILES |
CCN(CC)CCOc1ccc(NC(=S)Nc2ccc(OCC(C)C)cc2)cc1
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| InChI |
InChI=1S/C23H33N3O2S/c1-5-26(6-2)15-16-27-21-11-7-19(8-12-21)24-23(29)25-20-9-13-22(14-10-20)28-17-18(3)4/h7-14,18H,5-6,15-17H2,1-4H3,(H2,24,25,29)
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| InChIKey |
HSQYVRJHKHVEKA-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: PT01173, Histamine H3 receptor
Protein ID: PT00577, Histamine receptor H3