General Information of the Compound
| Compound ID |
CP0571579
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| Compound Name |
US11247971, Cmpd ID 278
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| Structure |
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| Formula |
C25H23FN4O5S2
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| Molecular Weight |
542.614
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| Canonical SMILES |
COc1cc(ccc1F)-c1nn(c(CC2CC2)c1Cc1ccc(cc1)S(N)(=O)=O)-c1nc(cs1)C(O)=O
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| InChI |
InChI=1S/C25H23FN4O5S2/c1-35-22-12-16(6-9-19(22)26)23-18(10-14-4-7-17(8-5-14)37(27,33)34)21(11-15-2-3-15)30(29-23)25-28-20(13-36-25)24(31)32/h4-9,12-13,15H,2-3,10-11H2,1H3,(H,31,32)(H2,27,33,34)
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| InChIKey |
FRCFTYPXDVJTCJ-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