General Information of the Compound
| Compound ID |
CP0255330
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| Compound Name |
US9320734, 415
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| Structure |
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| Formula |
C17H19N5O7S2
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| Molecular Weight |
469.501
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| Canonical SMILES |
COc1cc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3c(C)noc3C)cc2)nc(OC)n1
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| InChI |
InChI=1S/C17H19N5O7S2/c1-10-16(11(2)29-20-10)31(25,26)21-12-5-7-13(8-6-12)30(23,24)22-14-9-15(27-3)19-17(18-14)28-4/h5-9,21H,1-4H3,(H,18,19,22)
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| InChIKey |
SSDWSTAYENJABB-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