General Information of the Compound
| Compound ID |
CP0728848
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| Compound Name |
SID17512572
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| Structure |
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| Formula |
C24H20N2O4
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| Molecular Weight |
400.434
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| Canonical SMILES |
COc1ccc(-c2[nH]c(-c3cc(OC)c4c(c3)OCO4)nc2-c2ccccc2)cc1
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| InChI |
InChI=1S/C24H20N2O4/c1-27-18-10-8-16(9-11-18)22-21(15-6-4-3-5-7-15)25-24(26-22)17-12-19(28-2)23-20(13-17)29-14-30-23/h3-13H,14H2,1-2H3,(H,25,26)
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| InChIKey |
JEQKOHNSCAOBLY-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