General Information of the Compound
| Compound ID |
CP0396480
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| Compound Name |
N,N'-bis[N'-[3-(1H-1,2,4-triazol-5-yl)propyl]carbamimidoyl]decanediamide
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| Structure |
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| Formula |
C22H38N12O2
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| Molecular Weight |
502.628
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| Canonical SMILES |
NC(NC(=O)CCCCCCCCC(=O)NC(N)=NCCCc1nnc[nH]1)=NCCCc1nnc[nH]1
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| InChI |
InChI=1S/C22H38N12O2/c23-21(25-13-7-9-17-27-15-29-33-17)31-19(35)11-5-3-1-2-4-6-12-20(36)32-22(24)26-14-8-10-18-28-16-30-34-18/h15-16H,1-14H2,(H,27,29,33)(H,28,30,34)(H3,23,25,31,35)(H3,24,26,32,36)
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| InChIKey |
JYLFZMKHEGGCES-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