General Information of the Compound
| Compound ID |
CP0901202
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| Compound Name |
N-{4-[2-(4-{[Amino(imino)methyl]amino}phenyl)ethyl]-5-[4-(methylsulfonyl)phenyl]-1,3-thiazol-2-yl}acetamidehydrochloride
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| Structure |
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| Formula |
C21H24ClN5O3S2
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| Molecular Weight |
494.042
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| Canonical SMILES |
CC(=O)Nc1nc(CCc2ccc(NC(=N)N)cc2)c(-c2ccc(S(C)(=O)=O)cc2)s1.Cl
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| InChI |
InChI=1S/C21H23N5O3S2.ClH/c1-13(27)24-21-26-18(12-5-14-3-8-16(9-4-14)25-20(22)23)19(30-21)15-6-10-17(11-7-15)31(2,28)29;/h3-4,6-11H,5,12H2,1-2H3,(H4,22,23,25)(H,24,26,27);1H
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| InChIKey |
DBGXSSXXQZXHGL-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