General Information of the Compound
| Compound ID |
CP0856749
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| Compound Name |
SID99456131
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| Structure |
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| Formula |
C28H21N3O3
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| Molecular Weight |
447.494
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| Canonical SMILES |
CC(=O)c1ccc(-c2cnc3c(NC=O)cc(-c4ccccc4Oc4ccccc4)cn23)cc1
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| InChI |
InChI=1S/C28H21N3O3/c1-19(33)20-11-13-21(14-12-20)26-16-29-28-25(30-18-32)15-22(17-31(26)28)24-9-5-6-10-27(24)34-23-7-3-2-4-8-23/h2-18H,1H3,(H,30,32)
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| InChIKey |
JEEYBXPCFUGUMM-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