General Information of the Compound
| Compound ID |
CP0658461
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| Compound Name |
N-[4-(2-{4-[(2-Amino-1H-imidazol-4-yl)methyl]phenyl}ethyl)thiazol-2-yl]acetamide hydrochloride
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| Structure |
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| Formula |
C17H20ClN5OS
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| Molecular Weight |
377.901
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| Canonical SMILES |
CC(=O)Nc1nc(CCc2ccc(Cc3c[nH]c(N)n3)cc2)cs1.Cl
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| InChI |
InChI=1S/C17H19N5OS.ClH/c1-11(23)20-17-22-14(10-24-17)7-6-12-2-4-13(5-3-12)8-15-9-19-16(18)21-15;/h2-5,9-10H,6-8H2,1H3,(H3,18,19,21)(H,20,22,23);1H
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| InChIKey |
XYQWAISRHSHNND-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: PT03817, Membrane primary amine oxidase
Protein ID: PT02562, Membrane primary amine oxidase