General Information of the Compound
| Compound ID |
CP0510722
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| Compound Name |
3-[5-(6-fluoro-1H-indol-3-yl)-3-methyl-1,1-dioxo-3H-1,2-benzothiazol-2-yl]-N-methylpropanamide
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| Structure |
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| Formula |
C20H20FN3O3S
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| Molecular Weight |
401.463
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| Canonical SMILES |
CNC(=O)CCN1C(C)c2cc(ccc2S1(=O)=O)-c1c[nH]c2cc(F)ccc12
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| InChI |
InChI=1S/C20H20FN3O3S/c1-12-16-9-13(17-11-23-18-10-14(21)4-5-15(17)18)3-6-19(16)28(26,27)24(12)8-7-20(25)22-2/h3-6,9-12,23H,7-8H2,1-2H3,(H,22,25)
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| InChIKey |
CDNKQZRLGOBBHA-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