General Information of the Compound
| Compound ID |
CP0576875
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| Compound Name |
US9266880, 5
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| Structure |
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| Formula |
C20H14N6O2S
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| Molecular Weight |
402.439
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| Canonical SMILES |
NS(=O)(=O)c1cccc(c1)-n1ncc2c(ccnc12)-c1cncc2ncccc12
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| InChI |
InChI=1S/C20H14N6O2S/c21-29(27,28)14-4-1-3-13(9-14)26-20-18(11-25-26)15(6-8-24-20)17-10-22-12-19-16(17)5-2-7-23-19/h1-12H,(H2,21,27,28)
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| InChIKey |
VDFGCBBRBROTLL-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