General Information of the Compound
| Compound ID |
CP0572102
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| Compound Name |
US9518064, Example 70
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| Structure |
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| Formula |
C26H17F3N4O4S
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| Molecular Weight |
538.507
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| Canonical SMILES |
COc1nn2cc(nc2s1)-c1cc2c(OCc3cc(F)cc(c3)-c3ncc(F)cc3F)cc(OC)cc2o1
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| InChI |
InChI=1S/C26H17F3N4O4S/c1-34-17-7-21(36-12-13-3-14(5-15(27)4-13)24-19(29)6-16(28)10-30-24)18-9-23(37-22(18)8-17)20-11-33-25(31-20)38-26(32-33)35-2/h3-11H,12H2,1-2H3
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| InChIKey |
HZVASKTYXUVJEP-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