General Information of the Compound
| Compound ID |
CP0516491
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| Compound Name |
2-chloro-4-fluoro-N-[[6-(1-methylpiperidin-4-yl)sulfonyl-1,3-benzothiazol-2-yl]carbamoyl]-5-pyrazol-1-ylbenzamide
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| Structure |
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| Formula |
C24H22ClFN6O4S2
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| Molecular Weight |
577.063
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| Canonical SMILES |
CN1CCC(CC1)S(=O)(=O)c1ccc2nc(NC(=O)NC(=O)c3cc(c(F)cc3Cl)-n3cccn3)sc2c1
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| InChI |
InChI=1S/C24H22ClFN6O4S2/c1-31-9-5-14(6-10-31)38(35,36)15-3-4-19-21(11-15)37-24(28-19)30-23(34)29-22(33)16-12-20(18(26)13-17(16)25)32-8-2-7-27-32/h2-4,7-8,11-14H,5-6,9-10H2,1H3,(H2,28,29,30,33,34)
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| InChIKey |
REUCKKFMLPTUFH-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