General Information of the Compound
| Compound ID |
CP0940284
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| Compound Name |
N-(4-[2-(4-{[Amino(imino)methyl]amino}phenyl)ethyl]-5-{2-[4-(methylsulfonyl)phenyl]ethyl}-1,3-thiazol-2-yl)acetamide hydrochloride
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| Structure |
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| Formula |
C23H28ClN5O3S2
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| Molecular Weight |
522.096
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| Canonical SMILES |
CC(=O)Nc1nc(CCc2ccc(NC(=N)N)cc2)c(CCc2ccc(S(C)(=O)=O)cc2)s1.Cl
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| InChI |
InChI=1S/C23H27N5O3S2.ClH/c1-15(29)26-23-28-20(13-7-16-3-9-18(10-4-16)27-22(24)25)21(32-23)14-8-17-5-11-19(12-6-17)33(2,30)31;/h3-6,9-12H,7-8,13-14H2,1-2H3,(H4,24,25,27)(H,26,28,29);1H
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| InChIKey |
XWQBKPKNBLQEEP-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