General Information of the Compound
| Compound ID |
CP0550980
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| Compound Name |
US8916553, 239
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| Structure |
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| Formula |
C17H16FN3O3S
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| Molecular Weight |
361.398
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| Canonical SMILES |
CS(=O)(=O)Nc1ccc(c(OCCF)c1)-c1cncc2ncccc12
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| InChI |
InChI=1S/C17H16FN3O3S/c1-25(22,23)21-12-4-5-14(17(9-12)24-8-6-18)15-10-19-11-16-13(15)3-2-7-20-16/h2-5,7,9-11,21H,6,8H2,1H3
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| InChIKey |
DIQWFYKKWIDPGD-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