General Information of the Compound
| Compound ID |
CP0350357
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| Compound Name |
MLS000539021
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| Structure |
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| Formula |
C25H23F3N6O
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| Molecular Weight |
480.494
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| Canonical SMILES |
Cc1ccccc1Cn1ccc(NC(=O)c2cnn3C(CC(Nc23)c2ccccc2)C(F)(F)F)n1
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| InChI |
InChI=1S/C25H23F3N6O/c1-16-7-5-6-10-18(16)15-33-12-11-22(32-33)31-24(35)19-14-29-34-21(25(26,27)28)13-20(30-23(19)34)17-8-3-2-4-9-17/h2-12,14,20-21,30H,13,15H2,1H3,(H,31,32,35)
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| InChIKey |
VZZODCGNTWDMEL-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