General Information of the Compound
| Compound ID |
CP0539403
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| Compound Name |
US10047103, 32
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| Structure |
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| Formula |
C22H16N6O4S2
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| Molecular Weight |
492.542
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| Canonical SMILES |
COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)-c3cnccn3)cc(OC)cc2o1
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| InChI |
InChI=1S/C22H16N6O4S2/c1-29-13-5-17(31-10-12-11-33-20(25-12)15-8-23-3-4-24-15)14-7-19(32-18(14)6-13)16-9-28-21(26-16)34-22(27-28)30-2/h3-9,11H,10H2,1-2H3
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| InChIKey |
XUCQSXMAYFMYBR-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