General Information of the Compound
| Compound ID |
CP0560973
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| Compound Name |
US9169240, 47
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| Structure |
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| Formula |
C21H13N5O5S
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| Molecular Weight |
447.432
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| Canonical SMILES |
COc1nc(-c2nnc(o2)C(=O)c2nc3ccc(cc3s2)-c2ccccc2)c(O)c(=O)[nH]1
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| InChI |
InChI=1S/C21H13N5O5S/c1-30-21-23-14(15(27)17(29)24-21)18-25-26-19(31-18)16(28)20-22-12-8-7-11(9-13(12)32-20)10-5-3-2-4-6-10/h2-9,27H,1H3,(H,23,24,29)
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| InChIKey |
KTPGVMICGMWNPE-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