General Information of the Compound
| Compound ID |
CP0919479
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| Compound Name |
(E)-3-(1H-Imidazol-4-yl)propylhex-2-enylcarbamatehydrogen maleate
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| Structure |
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| Formula |
C17H25N3O6
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| Molecular Weight |
367.402
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| Canonical SMILES |
CCC/C=C/CNC(=O)OCCCc1c[nH]cn1.O=C(O)/C=C\C(=O)O
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| InChI |
InChI=1S/C13H21N3O2.C4H4O4/c1-2-3-4-5-8-15-13(17)18-9-6-7-12-10-14-11-16-12;5-3(6)1-2-4(7)8/h4-5,10-11H,2-3,6-9H2,1H3,(H,14,16)(H,15,17);1-2H,(H,5,6)(H,7,8)/b5-4+;2-1-
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| InChIKey |
JNPDXGCZADLGRM-WCNLUQOZSA-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: PT01194, Histamine H3 receptor
Protein ID: PT01711, Histamine H4 receptor