General Information of the Compound
| Compound ID |
CP0396478
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| Compound Name |
N,N'-bis[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]hexadecanediamide
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| Structure |
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| Formula |
C30H52N10O2
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| Molecular Weight |
584.814
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| Canonical SMILES |
NC(NC(=O)CCCCCCCCCCCCCCC(=O)NC(=N)NCCCc1cnc[nH]1)=NCCCc1cnc[nH]1
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| InChI |
InChI=1S/C30H52N10O2/c31-29(35-19-13-15-25-21-33-23-37-25)39-27(41)17-11-9-7-5-3-1-2-4-6-8-10-12-18-28(42)40-30(32)36-20-14-16-26-22-34-24-38-26/h21-24H,1-20H2,(H,33,37)(H,34,38)(H3,31,35,39,41)(H3,32,36,40,42)
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| InChIKey |
HBDHANBWOOALDQ-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