General Information of the Compound
| Compound ID |
CP0539387
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| Compound Name |
US10047103, 145
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| Structure |
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| Formula |
C26H18ClF3N4O5S2
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| Molecular Weight |
623.034
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| Canonical SMILES |
COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)C(O)(c3ccc(Cl)cc3)C(F)(F)F)cc(OC)cc2o1
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| InChI |
InChI=1S/C26H18ClF3N4O5S2/c1-36-16-7-19(17-9-21(39-20(17)8-16)18-10-34-23(32-18)41-24(33-34)37-2)38-11-15-12-40-22(31-15)25(35,26(28,29)30)13-3-5-14(27)6-4-13/h3-10,12,35H,11H2,1-2H3
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| InChIKey |
UPWRYEAGKLIQQY-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