General Information of the Compound
| Compound ID |
CP0547824
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| Compound Name |
US10047103, 221
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| Structure |
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| Formula |
C28H22N4O5S
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| Molecular Weight |
526.574
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| Canonical SMILES |
COc1cc(OCc2csc(n2)-c2cccc(OC(C)=O)c2)c2cc(oc2c1)-c1cn2nc(C)ccc2n1
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| InChI |
InChI=1S/C28H22N4O5S/c1-16-7-8-27-30-23(13-32(27)31-16)26-12-22-24(10-21(34-3)11-25(22)37-26)35-14-19-15-38-28(29-19)18-5-4-6-20(9-18)36-17(2)33/h4-13,15H,14H2,1-3H3
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| InChIKey |
QXKHKPKVTAWLDJ-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