General Information of the Compound
| Compound ID |
CP0529045
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| Compound Name |
US9434711, 753
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| Structure |
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| Formula |
C27H22F3NO5S2
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| Molecular Weight |
561.603
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| Canonical SMILES |
COC(=O)c1ccc(cc1)S(=O)(=O)N(Cc1ccc(OC(F)(F)F)cc1)c1sc2ccccc2c1C1CC1
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| InChI |
InChI=1S/C27H22F3NO5S2/c1-35-26(32)19-10-14-21(15-11-19)38(33,34)31(16-17-6-12-20(13-7-17)36-27(28,29)30)25-24(18-8-9-18)22-4-2-3-5-23(22)37-25/h2-7,10-15,18H,8-9,16H2,1H3
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| InChIKey |
ROAHPZISXHMOQE-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