General Information of the Compound
| Compound ID |
CP0884652
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| Compound Name |
4-(3-(4-(cyclohexylmethyl)-1H-1,2,3-triazol-1-yl)propyl)morpholine fumarate salt
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| Structure |
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| Formula |
C20H32N4O5
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| Molecular Weight |
408.499
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| Canonical SMILES |
O=C(O)/C=C/C(=O)O.c1c(CC2CCCCC2)nnn1CCCN1CCOCC1
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| InChI |
InChI=1S/C16H28N4O.C4H4O4/c1-2-5-15(6-3-1)13-16-14-20(18-17-16)8-4-7-19-9-11-21-12-10-19;5-3(6)1-2-4(7)8/h14-15H,1-13H2;1-2H,(H,5,6)(H,7,8)/b;2-1+
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| InChIKey |
KDIJERDCJCSRMS-WLHGVMLRSA-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