General Information of the Compound
| Compound ID |
CP0564451
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| Compound Name |
US9434711, 800
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| Structure |
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| Formula |
C27H25F3N2O4S2
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| Molecular Weight |
562.635
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| Canonical SMILES |
Cc1c(sc2ccccc12)N(Cc1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1ccc(cc1)N1CCOCC1
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| InChI |
InChI=1S/C27H25F3N2O4S2/c1-19-24-4-2-3-5-25(24)37-26(19)32(18-20-6-10-22(11-7-20)36-27(28,29)30)38(33,34)23-12-8-21(9-13-23)31-14-16-35-17-15-31/h2-13H,14-18H2,1H3
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| InChIKey |
MLMMTELEZXQIJM-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