General Information of the Compound
| Compound ID |
CP0565301
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| Compound Name |
US11247971, Cmpd ID 340
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| Formula |
C31H27FN4O5S2
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| Molecular Weight |
618.712
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| Canonical SMILES |
NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2cccc(OCc3ccccc3)c2)-c2nc(cs2)C(O)=O)cc1F
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| InChI |
InChI=1S/C31H27FN4O5S2/c32-25-14-21(11-12-28(25)43(33,39)40)13-24-27(15-19-9-10-19)36(31-34-26(18-42-31)30(37)38)35-29(24)22-7-4-8-23(16-22)41-17-20-5-2-1-3-6-20/h1-8,11-12,14,16,18-19H,9-10,13,15,17H2,(H,37,38)(H2,33,39,40)
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| InChIKey |
NGSZOUOYMONWDK-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