General Information of the Compound
| Compound ID |
CP0912873
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| Compound Name |
SID99494713
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| Structure |
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| Formula |
C23H20N4O4S
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| Molecular Weight |
448.504
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| Canonical SMILES |
CC(=O)c1ccc(-c2cnc3c(NC=O)cc(-c4cccc(NS(C)(=O)=O)c4)cn23)cc1
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| InChI |
InChI=1S/C23H20N4O4S/c1-15(29)16-6-8-17(9-7-16)22-12-24-23-21(25-14-28)11-19(13-27(22)23)18-4-3-5-20(10-18)26-32(2,30)31/h3-14,26H,1-2H3,(H,25,28)
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| InChIKey |
ASBMCXDLHCOJMR-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: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06172, Mothers against decapentaplegic homolog 3