General Information of the Compound
| Compound ID |
CP0377446
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| Compound Name |
N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]-2-(1H-indol-3-yl)acetamide
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| Structure |
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| Formula |
C17H20N6O
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| Molecular Weight |
324.388
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| Canonical SMILES |
NC(NC(=O)Cc1c[nH]c2ccccc12)=NCCCc1cnc[nH]1
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| InChI |
InChI=1S/C17H20N6O/c18-17(20-7-3-4-13-10-19-11-22-13)23-16(24)8-12-9-21-15-6-2-1-5-14(12)15/h1-2,5-6,9-11,21H,3-4,7-8H2,(H,19,22)(H3,18,20,23,24)
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| InChIKey |
IACQTGSSMZJQPH-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: PT01357, Histamine H2 receptor
Protein ID: PT01711, Histamine H4 receptor