General Information of the Compound
| Compound ID |
CP0563537
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| Compound Name |
US11247971, Cmpd ID 395
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| Formula |
C28H26F3N5O4S2
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| Molecular Weight |
617.675
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| Canonical SMILES |
NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2cccc(c2)N2CCC(F)(F)C2)-c2nc(cs2)C(O)=O)cc1F
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| InChI |
InChI=1S/C28H26F3N5O4S2/c29-21-11-17(6-7-24(21)42(32,39)40)10-20-23(12-16-4-5-16)36(27-33-22(14-41-27)26(37)38)34-25(20)18-2-1-3-19(13-18)35-9-8-28(30,31)15-35/h1-3,6-7,11,13-14,16H,4-5,8-10,12,15H2,(H,37,38)(H2,32,39,40)
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| InChIKey |
YMWAMESLPDCUSD-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