General Information of the Compound
| Compound ID |
CP0857184
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| Compound Name |
N-{1-[2-(4-Carbamimidamidophenyl)ethyl]-5-[4-(methylsulfonyl)phenyl]-1H-pyrazol-3-yl}acetamidehydrochloride
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| Structure |
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| Formula |
C21H25ClN6O3S
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| Molecular Weight |
476.99
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| Canonical SMILES |
CC(=O)Nc1cc(-c2ccc(S(C)(=O)=O)cc2)n(CCc2ccc(NC(=N)N)cc2)n1.Cl
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| InChI |
InChI=1S/C21H24N6O3S.ClH/c1-14(28)24-20-13-19(16-5-9-18(10-6-16)31(2,29)30)27(26-20)12-11-15-3-7-17(8-4-15)25-21(22)23;/h3-10,13H,11-12H2,1-2H3,(H4,22,23,25)(H,24,26,28);1H
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| InChIKey |
OLOPNOSYGBFPHE-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