General Information of the Compound
| Compound ID |
CP0434681
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| Compound Name |
N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]-3-phenyl-3-(1,3-thiazol-2-yl)propanamide
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| Structure |
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| Formula |
C19H22N6OS
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| Molecular Weight |
382.493
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| Canonical SMILES |
NC(NC(=O)CC(c1nccs1)c1ccccc1)=NCCCc1cnc[nH]1
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| InChI |
InChI=1S/C19H22N6OS/c20-19(23-8-4-7-15-12-21-13-24-15)25-17(26)11-16(18-22-9-10-27-18)14-5-2-1-3-6-14/h1-3,5-6,9-10,12-13,16H,4,7-8,11H2,(H,21,24)(H3,20,23,25,26)
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| InChIKey |
SGQYOPBUMICDBU-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: PT02406, Histamine H2 receptor
Protein ID: PT01357, Histamine H2 receptor
Protein ID: PT01711, Histamine H4 receptor