General Information of the Compound
| Compound ID |
CP0278334
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| Compound Name |
N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-7-fluoro-4-methoxyindazol-1-yl]methyl]phenyl]methyl]acetamide
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| Structure |
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| Formula |
C22H20ClFN4O4S2
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| Molecular Weight |
523.011
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| Canonical SMILES |
COc1ccc(F)c2n(Cc3cccc(CNC(C)=O)c3)nc(NS(=O)(=O)c3ccc(Cl)s3)c12
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| InChI |
InChI=1S/C22H20ClFN4O4S2/c1-13(29)25-11-14-4-3-5-15(10-14)12-28-21-16(24)6-7-17(32-2)20(21)22(26-28)27-34(30,31)19-9-8-18(23)33-19/h3-10H,11-12H2,1-2H3,(H,25,29)(H,26,27)
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| InChIKey |
ZHPAIQLXCBMDSK-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