General Information of the Compound
| Compound ID |
CP0486518
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| Compound Name |
US10047103, 81
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| Structure |
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| Formula |
C25H20N4O6S3
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| Molecular Weight |
568.658
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| Canonical SMILES |
COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)-c3ccc(cc3)S(C)(=O)=O)cc(OC)cc2o1
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| InChI |
InChI=1S/C25H20N4O6S3/c1-32-16-8-20(34-12-15-13-36-23(26-15)14-4-6-17(7-5-14)38(3,30)31)18-10-22(35-21(18)9-16)19-11-29-24(27-19)37-25(28-29)33-2/h4-11,13H,12H2,1-3H3
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| InChIKey |
AUHROPMDFWDFRD-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