General Information of the Compound
| Compound ID |
CP0506808
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| Compound Name |
US8952008, 48
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| Structure |
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| Formula |
C22H22N4O4S
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| Molecular Weight |
438.509
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| Canonical SMILES |
CCn1cnc2c(cnnc12)-c1ccc(O)c(c1)-c1ccc(cc1OC)S(=O)(=O)CC
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| InChI |
InChI=1S/C22H22N4O4S/c1-4-26-13-23-21-18(12-24-25-22(21)26)14-6-9-19(27)17(10-14)16-8-7-15(11-20(16)30-3)31(28,29)5-2/h6-13,27H,4-5H2,1-3H3
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| InChIKey |
UOVHUSUBZVIFIM-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