General Information of the Compound
| Compound ID |
CP0553378
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| Compound Name |
US9067871, 31
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| Structure |
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| Formula |
C21H27FN2O2S
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| Molecular Weight |
390.524
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| Canonical SMILES |
NC1CCc2ccc(CNS(=O)(=O)CCCF)cc2C1Cc1ccccc1
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| InChI |
InChI=1S/C21H27FN2O2S/c22-11-4-12-27(25,26)24-15-17-7-8-18-9-10-21(23)20(19(18)14-17)13-16-5-2-1-3-6-16/h1-3,5-8,14,20-21,24H,4,9-13,15,23H2
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| InChIKey |
AUDHCZPXIAUFBH-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