General Information of the Compound
| Compound ID |
CP0468182
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| Compound Name |
US10047103, 281
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| Structure |
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| Formula |
C27H20N6O3S2
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| Molecular Weight |
540.63
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| Canonical SMILES |
COc1cc(OCc2csc(Nc3ccc4scnc4c3)n2)c2cc(oc2c1)-c1cn2nc(C)ccc2n1
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| InChI |
InChI=1S/C27H20N6O3S2/c1-15-3-6-26-31-21(11-33(26)32-15)24-10-19-22(8-18(34-2)9-23(19)36-24)35-12-17-13-37-27(30-17)29-16-4-5-25-20(7-16)28-14-38-25/h3-11,13-14H,12H2,1-2H3,(H,29,30)
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| InChIKey |
PVSSXGXYTPAAJK-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