General Information of the Compound
| Compound ID |
CP0560259
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| Compound Name |
US9862730, Example 345
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| Structure |
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| Formula |
C28H23N3O4S2
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| Molecular Weight |
529.643
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| Canonical SMILES |
COc1cc(OCc2cccc(OCc3ccccc3)c2)c2cc(oc2c1)-c1cn2nc(SC)sc2n1
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| InChI |
InChI=1S/C28H23N3O4S2/c1-32-21-12-24(34-17-19-9-6-10-20(11-19)33-16-18-7-4-3-5-8-18)22-14-26(35-25(22)13-21)23-15-31-27(29-23)37-28(30-31)36-2/h3-15H,16-17H2,1-2H3
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| InChIKey |
XBZLSNJIBMVOTL-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