General Information of the Compound
| Compound ID |
CP0900383
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| Compound Name |
SID99454868
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| Structure |
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| Formula |
C23H20N4O3
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| Molecular Weight |
400.438
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| Canonical SMILES |
COc1cccc(-c2cnc3c(NC=O)cc(-c4cccc(NC(C)=O)c4)cn23)c1
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| InChI |
InChI=1S/C23H20N4O3/c1-15(29)26-19-7-3-5-16(9-19)18-11-21(25-14-28)23-24-12-22(27(23)13-18)17-6-4-8-20(10-17)30-2/h3-14H,1-2H3,(H,25,28)(H,26,29)
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| InChIKey |
HPXFXBMFKYGXTE-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