General Information of the Compound
| Compound ID |
CP0546555
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| Compound Name |
US10047103, 260
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| Structure |
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| Formula |
C27H20N6O3S
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| Molecular Weight |
508.563
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| Canonical SMILES |
COc1cc(OCc2csc(Nc3cccc(c3)C#N)n2)c2cc(oc2c1)-c1cn2nc(C)ccc2n1
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| InChI |
InChI=1S/C27H20N6O3S/c1-16-6-7-26-31-22(13-33(26)32-16)25-11-21-23(9-20(34-2)10-24(21)36-25)35-14-19-15-37-27(30-19)29-18-5-3-4-17(8-18)12-28/h3-11,13,15H,14H2,1-2H3,(H,29,30)
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| InChIKey |
OKZIJALLMCEEKH-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