General Information of the Compound
| Compound ID |
CP0849842
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| Compound Name |
1-Benzyl-3-[5-(1H-imidazol-4-yl)-pentyl]-thiourea
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| Structure |
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| Formula |
C16H22N4S
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| Molecular Weight |
302.447
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| Canonical SMILES |
S=C(NCCCCCc1c[nH]cn1)NCc1ccccc1
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| InChI |
InChI=1S/C16H22N4S/c21-16(19-11-14-7-3-1-4-8-14)18-10-6-2-5-9-15-12-17-13-20-15/h1,3-4,7-8,12-13H,2,5-6,9-11H2,(H,17,20)(H2,18,19,21)
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| InChIKey |
QCWLBUKJAUNWKS-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