General Information of the Compound
| Compound ID |
CP0407166
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| Compound Name |
US10047103, 6
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| Structure |
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| Formula |
C22H22N4O6S2
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| Molecular Weight |
502.574
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| Canonical SMILES |
COCCOCc1nc(COc2cc(OC)cc3oc(cc23)-c2cn3nc(OC)sc3n2)cs1
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| InChI |
InChI=1S/C22H22N4O6S2/c1-27-4-5-30-11-20-23-13(12-33-20)10-31-17-6-14(28-2)7-18-15(17)8-19(32-18)16-9-26-21(24-16)34-22(25-26)29-3/h6-9,12H,4-5,10-11H2,1-3H3
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| InChIKey |
CUQAZVNQNUWZDB-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