General Information of the Compound
| Compound ID |
CP0440542
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| Compound Name |
US9139578, 6
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| Structure |
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| Formula |
C21H21FN8O6S2
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| Molecular Weight |
564.581
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| Canonical SMILES |
CCOC(=O)CNC(=O)NC(c1nnc(CNS(N)(=O)=O)o1)c1nc2ccc(cc2s1)-c1ccc(F)nc1
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| InChI |
InChI=1S/C21H21FN8O6S2/c1-2-35-17(31)10-25-21(32)28-18(19-30-29-16(36-19)9-26-38(23,33)34)20-27-13-5-3-11(7-14(13)37-20)12-4-6-15(22)24-8-12/h3-8,18,26H,2,9-10H2,1H3,(H2,23,33,34)(H2,25,28,32)
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| InChIKey |
LHWUYZBNXXSQKI-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