General Information of the Compound
| Compound ID |
CP0567872
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| Compound Name |
US9434711, 355
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| Structure |
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| Formula |
C27H21F4N3O3S2
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| Molecular Weight |
575.609
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| Canonical SMILES |
COc1ccc(NS(=O)(=O)N(Cc2ccc(F)c(c2)C(F)(F)F)c2sc3ccccc3c2C)c2cccnc12
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| InChI |
InChI=1S/C27H21F4N3O3S2/c1-16-18-6-3-4-8-24(18)38-26(16)34(15-17-9-10-21(28)20(14-17)27(29,30)31)39(35,36)33-22-11-12-23(37-2)25-19(22)7-5-13-32-25/h3-14,33H,15H2,1-2H3
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| InChIKey |
BMVXTOCRCROZEC-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