General Information of the Compound
| Compound ID |
CP0563869
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| Compound Name |
US9067935, 76
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| Structure |
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| Formula |
C24H20Cl2F3N5O4S
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| Molecular Weight |
602.422
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| Canonical SMILES |
FC(F)(F)Oc1ccc(CN(c2nc3ccc(Cl)cn3c2Cl)S(=O)(=O)c2ccc(nc2)N2CCOCC2)cc1
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| InChI |
InChI=1S/C24H20Cl2F3N5O4S/c25-17-3-7-21-31-23(22(26)33(21)15-17)34(14-16-1-4-18(5-2-16)38-24(27,28)29)39(35,36)19-6-8-20(30-13-19)32-9-11-37-12-10-32/h1-8,13,15H,9-12,14H2
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| InChIKey |
ZADSVZPWPIIZSG-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