General Information of the Compound
| Compound ID |
CP0377761
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| Compound Name |
N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]-3,3-diphenylpropanamide
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| Structure |
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| Formula |
C22H25N5O
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| Molecular Weight |
375.476
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| Canonical SMILES |
NC(NC(=O)CC(c1ccccc1)c1ccccc1)=NCCCc1cnc[nH]1
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| InChI |
InChI=1S/C22H25N5O/c23-22(25-13-7-12-19-15-24-16-26-19)27-21(28)14-20(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-6,8-11,15-16,20H,7,12-14H2,(H,24,26)(H3,23,25,27,28)
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| InChIKey |
UPTJWSNQGUAZJA-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