General Information of the Compound
| Compound ID |
CP0499723
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| Compound Name |
US10047103, 227
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| Structure |
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| Formula |
C26H20FN5O3S
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| Molecular Weight |
501.543
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| Canonical SMILES |
COc1cc(OCc2nc(sc2C)-c2ccnc(F)c2)c2cc(oc2c1)-c1cn2nc(C)ccc2n1
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| InChI |
InChI=1S/C26H20FN5O3S/c1-14-4-5-25-29-19(12-32(25)31-14)23-11-18-21(9-17(33-3)10-22(18)35-23)34-13-20-15(2)36-26(30-20)16-6-7-28-24(27)8-16/h4-12H,13H2,1-3H3
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| InChIKey |
WYIXGZUDGCSVKP-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