General Information of the Compound
| Compound ID |
CP0413890
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| Compound Name |
N,N'-bis[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]hexanediamide
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| Structure |
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| Formula |
C20H32N10O2
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| Molecular Weight |
444.544
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| Canonical SMILES |
N=C(NCCCc1cnc[nH]1)NC(=O)CCCCC(=O)NC(=N)NCCCc1cnc[nH]1
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| InChI |
InChI=1S/C20H32N10O2/c21-19(25-9-3-5-15-11-23-13-27-15)29-17(31)7-1-2-8-18(32)30-20(22)26-10-4-6-16-12-24-14-28-16/h11-14H,1-10H2,(H,23,27)(H,24,28)(H3,21,25,29,31)(H3,22,26,30,32)
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| InChIKey |
RDIRTKGXGDOIAE-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