General Information of the Compound
| Compound ID |
CP0442511
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| Compound Name |
US9000044, 57
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| Structure |
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| Formula |
C21H20FNO5S
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| Molecular Weight |
417.458
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| Canonical SMILES |
Cc1c(CC(O)=O)cc2ccc(F)cc2c1-c1ccc(cc1)S(=O)(=O)NCCO
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| InChI |
InChI=1S/C21H20FNO5S/c1-13-16(11-20(25)26)10-15-2-5-17(22)12-19(15)21(13)14-3-6-18(7-4-14)29(27,28)23-8-9-24/h2-7,10,12,23-24H,8-9,11H2,1H3,(H,25,26)
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| InChIKey |
XXKTZLMYOQTQAQ-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