General Information of the Compound
| Compound ID |
CP0451482
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| Compound Name |
US9464076, 73
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| Structure |
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| Formula |
C25H22F2N2O4S
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| Molecular Weight |
484.524
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| Canonical SMILES |
COCc1ccc(C(C)=O)c2sc(C(=O)Nc3ccc4c(COC(F)F)cccc4n3)c(C)c12
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| InChI |
InChI=1S/C25H22F2N2O4S/c1-13-21-16(11-32-3)7-8-17(14(2)30)23(21)34-22(13)24(31)29-20-10-9-18-15(12-33-25(26)27)5-4-6-19(18)28-20/h4-10,25H,11-12H2,1-3H3,(H,28,29,31)
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| InChIKey |
RKRSLKGWOUEKEV-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