General Information of the Compound
| Compound ID |
CP0556962
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| Compound Name |
US9000044, 5
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| Structure |
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| Formula |
C26H18F4O4S
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| Molecular Weight |
502.485
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| Canonical SMILES |
Cc1c(CC(O)=O)cc2ccc(F)cc2c1-c1ccc(cc1)S(=O)(=O)c1ccccc1C(F)(F)F
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| InChI |
InChI=1S/C26H18F4O4S/c1-15-18(13-24(31)32)12-17-6-9-19(27)14-21(17)25(15)16-7-10-20(11-8-16)35(33,34)23-5-3-2-4-22(23)26(28,29)30/h2-12,14H,13H2,1H3,(H,31,32)
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| InChIKey |
YLDPBRAZGDKZAM-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