General Information of the Compound
| Compound ID |
CP0486528
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| Compound Name |
US10047103, 37
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| Structure |
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| Formula |
C26H20N4O6S2
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| Molecular Weight |
548.602
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| Canonical SMILES |
COC(=O)c1ccc(cc1)-c1nc(COc2cc(OC)cc3oc(cc23)-c2cn3nc(OC)sc3n2)cs1
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| InChI |
InChI=1S/C26H20N4O6S2/c1-32-17-8-20(35-12-16-13-37-23(27-16)14-4-6-15(7-5-14)24(31)33-2)18-10-22(36-21(18)9-17)19-11-30-25(28-19)38-26(29-30)34-3/h4-11,13H,12H2,1-3H3
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| InChIKey |
AXFCRSNHZKDBDB-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