General Information of the Compound
| Compound ID |
CP0913432
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| Compound Name |
SID103060880
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| Structure |
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| Formula |
C22H19N3O4S
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| Molecular Weight |
421.478
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| Canonical SMILES |
COc1cccc(-c2cnc3c(NC=O)cc(-c4ccc(S(C)(=O)=O)cc4)cn23)c1
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| InChI |
InChI=1S/C22H19N3O4S/c1-29-18-5-3-4-16(10-18)21-12-23-22-20(24-14-26)11-17(13-25(21)22)15-6-8-19(9-7-15)30(2,27)28/h3-14H,1-2H3,(H,24,26)
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| InChIKey |
DQTRVKHITJUJLS-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