General Information of the Compound
| Compound ID |
CP0487961
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| Compound Name |
1-Methyl-piperidine-4-carboxylic acid{3-[(6-fluoro-1,1-dioxo-1H-1lambda*6*-benzo[d]isothiazol-3-yl)-phenyl-amino]-2,2-dimethyl-propyl}-amide
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| Structure |
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| Formula |
C25H31FN4O3S
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| Molecular Weight |
486.613
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| Canonical SMILES |
CN1CCC(CC1)C(=O)NCC(C)(C)CN(C1=NS(=O)(=O)c2cc(F)ccc12)c1ccccc1
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| InChI |
InChI=1S/C25H31FN4O3S/c1-25(2,16-27-24(31)18-11-13-29(3)14-12-18)17-30(20-7-5-4-6-8-20)23-21-10-9-19(26)15-22(21)34(32,33)28-23/h4-10,15,18H,11-14,16-17H2,1-3H3,(H,27,31)
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| InChIKey |
QHMKADJCQCAOJE-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