General Information of the Compound
| Compound ID |
CP0545179
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| Compound Name |
US10047103, 67
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| Structure |
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| Formula |
C23H16FN5O4S2
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| Molecular Weight |
509.544
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| Canonical SMILES |
COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)-c3ccnc(F)c3)cc(OC)cc2o1
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| InChI |
InChI=1S/C23H16FN5O4S2/c1-30-14-6-17(32-10-13-11-34-21(26-13)12-3-4-25-20(24)5-12)15-8-19(33-18(15)7-14)16-9-29-22(27-16)35-23(28-29)31-2/h3-9,11H,10H2,1-2H3
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| InChIKey |
SXPDDHWGSHXZBG-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