General Information of the Compound
| Compound ID |
CP0531485
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| Compound Name |
US9434711, 374
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| Structure |
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| Formula |
C26H23F4NO3S2
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| Molecular Weight |
537.6
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| Canonical SMILES |
Cc1c(sc2ccccc12)N(Cc1ccc(F)c(c1)C(F)(F)F)S(=O)(=O)c1ccc(cc1)C(C)(C)O
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| InChI |
InChI=1S/C26H23F4NO3S2/c1-16-20-6-4-5-7-23(20)35-24(16)31(15-17-8-13-22(27)21(14-17)26(28,29)30)36(33,34)19-11-9-18(10-12-19)25(2,3)32/h4-14,32H,15H2,1-3H3
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| InChIKey |
BBKDTJTYVXUPDC-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