General Information of the Compound
| Compound ID |
CP0544926
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| Compound Name |
US9000044, 30
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| Structure |
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| Formula |
C26H19ClF3NO5S
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| Molecular Weight |
549.954
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| Canonical SMILES |
Cc1c(CC(O)=O)cc2ccc(Cl)cc2c1-c1ccc(cc1)S(=O)(=O)Nc1ccc(OC(F)(F)F)cc1
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| InChI |
InChI=1S/C26H19ClF3NO5S/c1-15-18(13-24(32)33)12-17-2-5-19(27)14-23(17)25(15)16-3-10-22(11-4-16)37(34,35)31-20-6-8-21(9-7-20)36-26(28,29)30/h2-12,14,31H,13H2,1H3,(H,32,33)
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| InChIKey |
WESDUNUZRXVCQO-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