General Information of the Compound
Compound ID |
CP0559394
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Compound Name |
US9040693, 420
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Structure |
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Formula |
C22H16F3N3O5S
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Molecular Weight |
491.447
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Canonical SMILES |
COc1cc(F)c(cc1CN(C)c1c(F)cccc1F)-n1c(=O)[nH]c2csc(C(O)=O)c2c1=O
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InChI |
InChI=1S/C22H16F3N3O5S/c1-27(18-11(23)4-3-5-12(18)24)8-10-6-15(13(25)7-16(10)33-2)28-20(29)17-14(26-22(28)32)9-34-19(17)21(30)31/h3-7,9H,8H2,1-2H3,(H,26,32)(H,30,31)
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InChIKey |
MXOOXUTZJIIANK-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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