General Information of the Compound
| Compound ID |
CP0561959
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| Compound Name |
US9447114, 21
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| Structure |
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| Formula |
C24H20ClF3N2O6S
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| Molecular Weight |
556.946
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| Canonical SMILES |
Cn1c2sc(Oc3cccc(OC(F)(F)F)c3)c(C(O)c3ccc(Cl)cc3)c2c(=O)n(CCCO)c1=O
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| InChI |
InChI=1S/C24H20ClF3N2O6S/c1-29-21-18(20(33)30(23(29)34)10-3-11-31)17(19(32)13-6-8-14(25)9-7-13)22(37-21)35-15-4-2-5-16(12-15)36-24(26,27)28/h2,4-9,12,19,31-32H,3,10-11H2,1H3
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| InChIKey |
LKBZJWUTHWNNSC-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