General Information of the Compound
| Compound ID |
CP0407160
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| Compound Name |
US10047103, 64
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| Structure |
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| Formula |
C25H17N5O4S2
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| Molecular Weight |
515.576
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| Canonical SMILES |
COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)-c3ccc(cc3)C#N)cc(OC)cc2o1
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| InChI |
InChI=1S/C25H17N5O4S2/c1-31-17-7-20(33-12-16-13-35-23(27-16)15-5-3-14(10-26)4-6-15)18-9-22(34-21(18)8-17)19-11-30-24(28-19)36-25(29-30)32-2/h3-9,11,13H,12H2,1-2H3
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| InChIKey |
FJAUMTRBBJHIKT-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