General Information of the Compound
| Compound ID |
CP0391633
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| Compound Name |
US9862730, Example 156
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| Structure |
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| Formula |
C20H13N5O2S2
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| Molecular Weight |
419.491
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| Canonical SMILES |
CSc1nn2cc(nc2s1)-c1nc2c(OCc3cccc(c3)C#N)cccc2o1
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| InChI |
InChI=1S/C20H13N5O2S2/c1-28-20-24-25-10-14(22-19(25)29-20)18-23-17-15(6-3-7-16(17)27-18)26-11-13-5-2-4-12(8-13)9-21/h2-8,10H,11H2,1H3
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| InChIKey |
SDALNOPYOXNUAD-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