General Information of the Compound
| Compound ID |
CP0486369
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| Compound Name |
US9434711, 528
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| Structure |
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| Formula |
C23H17F4NO4S3
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| Molecular Weight |
543.585
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| Canonical SMILES |
Cc1cc(sc1S(=O)(=O)N(Cc1ccc(F)c(c1)C(F)(F)F)c1sc2ccccc2c1C)C(O)=O
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| InChI |
InChI=1S/C23H17F4NO4S3/c1-12-9-19(21(29)30)34-22(12)35(31,32)28(20-13(2)15-5-3-4-6-18(15)33-20)11-14-7-8-17(24)16(10-14)23(25,26)27/h3-10H,11H2,1-2H3,(H,29,30)
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| InChIKey |
BENPLHXWTJXCRS-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