General Information of the Compound
| Compound ID |
CP0444677
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| Compound Name |
N-[2-[[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]amino]-2-oxoethyl]-1H-indole-2-carboxamide
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| Structure |
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| Formula |
C18H21N7O2
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| Molecular Weight |
367.413
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| Canonical SMILES |
NC(NC(=O)CNC(=O)c1cc2ccccc2[nH]1)=NCCCc1cnc[nH]1
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| InChI |
InChI=1S/C18H21N7O2/c19-18(21-7-3-5-13-9-20-11-23-13)25-16(26)10-22-17(27)15-8-12-4-1-2-6-14(12)24-15/h1-2,4,6,8-9,11,24H,3,5,7,10H2,(H,20,23)(H,22,27)(H3,19,21,25,26)
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| InChIKey |
PIWSSTXHMGKDJO-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: PT01194, Histamine H3 receptor
Protein ID: PT01711, Histamine H4 receptor