General Information of the Compound
| Compound ID |
CP0432955
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| Compound Name |
1-[5-(1H-imidazol-4-yl)pentyl]-3-propan-2-ylthiourea
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| Structure |
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| Formula |
C12H22N4S
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| Molecular Weight |
254.403
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| Canonical SMILES |
CC(C)NC(=S)NCCCCCc1cnc[nH]1
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| InChI |
InChI=1S/C12H22N4S/c1-10(2)16-12(17)14-7-5-3-4-6-11-8-13-9-15-11/h8-10H,3-7H2,1-2H3,(H,13,15)(H2,14,16,17)
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| InChIKey |
UAYXBBUWDZDWLR-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