General Information of the Compound
| Compound ID |
CP0442022
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| Compound Name |
US8987445, 194
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| Structure |
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| Formula |
C26H18F2N2O4S2
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| Molecular Weight |
524.57
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| Canonical SMILES |
Cc1c(ncc2ccccc12)N(Cc1cc2c(F)cc(F)cc2s1)S(=O)(=O)c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C26H18F2N2O4S2/c1-15-21-5-3-2-4-17(21)13-29-25(15)30(36(33,34)20-8-6-16(7-9-20)26(31)32)14-19-12-22-23(28)10-18(27)11-24(22)35-19/h2-13H,14H2,1H3,(H,31,32)
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| InChIKey |
PSFHBEMQHOEEIA-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