General Information of the Compound
| Compound ID |
CP0914839
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| Compound Name |
SID103162663
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| Structure |
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| Formula |
C24H20N4O3
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| Molecular Weight |
412.449
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| Canonical SMILES |
CC(=O)Nc1cccc(-c2cc(NC=O)c3ncc(-c4cccc(C(C)=O)c4)n3c2)c1
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| InChI |
InChI=1S/C24H20N4O3/c1-15(30)17-5-3-7-19(9-17)23-12-25-24-22(26-14-29)11-20(13-28(23)24)18-6-4-8-21(10-18)27-16(2)31/h3-14H,1-2H3,(H,26,29)(H,27,31)
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| InChIKey |
KTKHFAVWIINTRH-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