General Information of the Compound
| Compound ID |
CP0857664
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| Compound Name |
N-(4-{2-[4-(2-Amino-1H-imidazol-4-yl)phenyl]ethyl}thiazol-2-yl)acetamide hydrochloride
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| Structure |
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| Formula |
C16H18ClN5OS
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| Molecular Weight |
363.874
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| Canonical SMILES |
CC(=O)Nc1nc(CCc2ccc(-c3c[nH]c(N)n3)cc2)cs1.Cl
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| InChI |
InChI=1S/C16H17N5OS.ClH/c1-10(22)19-16-20-13(9-23-16)7-4-11-2-5-12(6-3-11)14-8-18-15(17)21-14;/h2-3,5-6,8-9H,4,7H2,1H3,(H3,17,18,21)(H,19,20,22);1H
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| InChIKey |
QKAPQTIDKJDIFE-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