General Information of the Compound
| Compound ID |
CP0548871
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| Compound Name |
US9862730, Example 172
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| Structure |
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| Formula |
C20H16N4O3S2
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| Molecular Weight |
424.507
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| Canonical SMILES |
COc1ccc(COc2cccc3oc(nc23)-c2cn3nc(SC)sc3n2)cc1
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| InChI |
InChI=1S/C20H16N4O3S2/c1-25-13-8-6-12(7-9-13)11-26-15-4-3-5-16-17(15)22-18(27-16)14-10-24-19(21-14)29-20(23-24)28-2/h3-10H,11H2,1-2H3
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| InChIKey |
LXDZRCDEKRYKCL-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