General Information of the Compound
| Compound ID |
CP0472781
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| Compound Name |
1-Amino-cyclopropanecarboxylic acid{3-[(6-fluoro-1,1-dioxo-1H-1lambda*6*-benzo[d]isothiazol-3yl)phenyl-amino]-2,2-dimethyl-propyl}-amide
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| Structure |
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| Formula |
C22H25FN4O3S
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| Molecular Weight |
444.532
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| Canonical SMILES |
CC(C)(CNC(=O)C1(N)CC1)CN(C1=NS(=O)(=O)c2cc(F)ccc12)c1ccccc1
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| InChI |
InChI=1S/C22H25FN4O3S/c1-21(2,13-25-20(28)22(24)10-11-22)14-27(16-6-4-3-5-7-16)19-17-9-8-15(23)12-18(17)31(29,30)26-19/h3-9,12H,10-11,13-14,24H2,1-2H3,(H,25,28)
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| InChIKey |
KOHZRWIKCYLVRW-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