General Information of the Compound
| Compound ID |
CP0900922
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| Compound Name |
N-{4-[2-(4-{[Amino(imino)methyl]amino}phenyl)ethyl]-5-benzyl-1,3-thiazol-2-yl}acetamide hydrochloride
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| Structure |
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| Formula |
C21H24ClN5OS
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| Molecular Weight |
429.977
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| Canonical SMILES |
CC(=O)Nc1nc(CCc2ccc(NC(=N)N)cc2)c(Cc2ccccc2)s1.Cl
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| InChI |
InChI=1S/C21H23N5OS.ClH/c1-14(27)24-21-26-18(19(28-21)13-16-5-3-2-4-6-16)12-9-15-7-10-17(11-8-15)25-20(22)23;/h2-8,10-11H,9,12-13H2,1H3,(H4,22,23,25)(H,24,26,27);1H
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| InChIKey |
JQKRSKBTGHOZHI-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: PT02562, Membrane primary amine oxidase
Protein ID: PT03817, Membrane primary amine oxidase