General Information of the Compound
| Compound ID |
CP0548868
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| Compound Name |
US9862730, Example 227
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| Structure |
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| Formula |
C21H17N3O3S2
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| Molecular Weight |
423.519
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| Canonical SMILES |
COc1cc(OCc2ccccc2)c2cc(oc2c1)-c1cn2nc(SC)sc2n1
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| InChI |
InChI=1S/C21H17N3O3S2/c1-25-14-8-17(26-12-13-6-4-3-5-7-13)15-10-19(27-18(15)9-14)16-11-24-20(22-16)29-21(23-24)28-2/h3-11H,12H2,1-2H3
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| InChIKey |
BTNPHFLFPIMROZ-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