General Information of the Compound
| Compound ID |
CP0462627
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| Compound Name |
US9000044, 12
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| Structure |
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| Formula |
C27H17F7O4S
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| Molecular Weight |
570.482
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| Canonical SMILES |
Cc1c(CC(O)=O)cc2ccc(F)cc2c1-c1ccc(cc1)S(=O)(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C27H17F7O4S/c1-14-17(9-24(35)36)8-16-2-5-20(28)13-23(16)25(14)15-3-6-21(7-4-15)39(37,38)22-11-18(26(29,30)31)10-19(12-22)27(32,33)34/h2-8,10-13H,9H2,1H3,(H,35,36)
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| InChIKey |
KQNIENWMKWFJBF-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