General Information of the Compound
| Compound ID |
CP0517510
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| Compound Name |
US9320734, 456
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| Structure |
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| Formula |
C14H14N6O6S4
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| Molecular Weight |
490.57
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| Canonical SMILES |
Nc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O
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| InChI |
InChI=1S/C14H14N6O6S4/c15-9-1-5-11(6-2-9)29(23,24)19-10-3-7-12(8-4-10)30(25,26)20-13-17-18-14(27-13)28(16,21)22/h1-8,19H,15H2,(H,17,20)(H2,16,21,22)
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| InChIKey |
VHRSRCJNVCZJPP-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