General Information of the Compound
| Compound ID |
CP0486559
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| Compound Name |
US10047103, 212
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| Structure |
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| Formula |
C25H23FN4O4S
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| Molecular Weight |
494.548
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| Canonical SMILES |
COc1cc(OCc2csc(n2)C2(F)CCOCC2)c2cc(oc2c1)-c1cn2nc(C)ccc2n1
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| InChI |
InChI=1S/C25H23FN4O4S/c1-15-3-4-23-28-19(12-30(23)29-15)22-11-18-20(9-17(31-2)10-21(18)34-22)33-13-16-14-35-24(27-16)25(26)5-7-32-8-6-25/h3-4,9-12,14H,5-8,13H2,1-2H3
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| InChIKey |
SXAHCZLVEBNFID-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