General Information of the Compound
| Compound ID |
CP0374090
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| Compound Name |
N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]-3-thiophen-2-ylbutanamide
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| Structure |
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| Formula |
C15H21N5OS
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| Molecular Weight |
319.434
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| Canonical SMILES |
CC(CC(=O)NC(N)=NCCCc1cnc[nH]1)c1cccs1
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| InChI |
InChI=1S/C15H21N5OS/c1-11(13-5-3-7-22-13)8-14(21)20-15(16)18-6-2-4-12-9-17-10-19-12/h3,5,7,9-11H,2,4,6,8H2,1H3,(H,17,19)(H3,16,18,20,21)
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| InChIKey |
MCAARVUCNCRTPF-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: PT01194, Histamine H3 receptor
Protein ID: PT01711, Histamine H4 receptor