General Information of the Compound
| Compound ID |
CP0574123
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| Compound Name |
US10047103, 116
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| Structure |
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| Formula |
C21H15N5O5S2
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| Molecular Weight |
481.515
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| Canonical SMILES |
COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)-c3ccno3)cc(OC)cc2o1
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| InChI |
InChI=1S/C21H15N5O5S2/c1-27-12-5-16(29-9-11-10-32-19(23-11)15-3-4-22-31-15)13-7-18(30-17(13)6-12)14-8-26-20(24-14)33-21(25-26)28-2/h3-8,10H,9H2,1-2H3
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| InChIKey |
HEYYTJUHMHNLMD-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