General Information of the Compound
| Compound ID |
CP0546559
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| Compound Name |
US10047103, 210
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| Structure |
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| Formula |
C27H19F3N4O4S
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| Molecular Weight |
552.534
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| Canonical SMILES |
COc1cc(OCc2csc(n2)-c2ccc(OC(F)(F)F)cc2)c2cc(oc2c1)-c1cn2nc(C)ccc2n1
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| InChI |
InChI=1S/C27H19F3N4O4S/c1-15-3-8-25-32-21(12-34(25)33-15)24-11-20-22(9-19(35-2)10-23(20)37-24)36-13-17-14-39-26(31-17)16-4-6-18(7-5-16)38-27(28,29)30/h3-12,14H,13H2,1-2H3
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| InChIKey |
AJSPEUMSCZMVPC-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