General Information of the Compound
| Compound ID |
CP0377744
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| Compound Name |
1-[(4-chlorophenyl)methyl]-3-[5-(1H-imidazol-4-yl)pentyl]thiourea
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| Structure |
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| Formula |
C16H21ClN4S
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| Molecular Weight |
336.892
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| Canonical SMILES |
Clc1ccc(CNC(=S)NCCCCCc2cnc[nH]2)cc1
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| InChI |
InChI=1S/C16H21ClN4S/c17-14-7-5-13(6-8-14)10-20-16(22)19-9-3-1-2-4-15-11-18-12-21-15/h5-8,11-12H,1-4,9-10H2,(H,18,21)(H2,19,20,22)
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| InChIKey |
HEMGHPXVGLAJGV-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: PT03161, Histamine H1 receptor
Protein ID: PT01357, Histamine H2 receptor
Protein ID: PT01711, Histamine H4 receptor