General Information of the Compound
Compound ID |
CP0556459
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Compound Name |
US8987445, 223
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Structure |
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Formula |
C29H25F3N2O5S
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Molecular Weight |
570.589
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Canonical SMILES |
COC1(CCc2cc(CN(c3ncc4ccccc4c3C)S(=O)(=O)c3ccc(cc3)C(O)=O)ccc12)C(F)(F)F
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InChI |
InChI=1S/C29H25F3N2O5S/c1-18-24-6-4-3-5-22(24)16-33-26(18)34(40(37,38)23-10-8-20(9-11-23)27(35)36)17-19-7-12-25-21(15-19)13-14-28(25,39-2)29(30,31)32/h3-12,15-16H,13-14,17H2,1-2H3,(H,35,36)
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InChIKey |
FBBLATJHZQLOLR-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