General Information of the Compound
| Compound ID |
CP0537995
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| Compound Name |
US11247971, Cmpd ID 400
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| Formula |
C28H24F4N4O5S2
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| Molecular Weight |
636.649
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| Canonical SMILES |
NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(OCC3CC3(F)F)c2)-c2nc(cs2)C(O)=O)cc1F
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| InChI |
InChI=1S/C28H24F4N4O5S2/c29-19-5-4-16(10-23(19)41-12-17-11-28(17,31)32)25-18(7-15-3-6-24(20(30)8-15)43(33,39)40)22(9-14-1-2-14)36(35-25)27-34-21(13-42-27)26(37)38/h3-6,8,10,13-14,17H,1-2,7,9,11-12H2,(H,37,38)(H2,33,39,40)
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| InChIKey |
ACECJHMAHJGXGH-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
Protein ID: PT02629, L-lactate dehydrogenase A chain
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000569 | A-673 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 900 nM
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TI
LI
LO
TS
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