General Information of the Compound
| Compound ID |
CP0244118
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| Compound Name |
2-methyl-2-propenoic acid [7-methyl-3-oxo-2-(trifluoromethyl)-4H-1,4-benzoxazin-2-yl] ester
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| Structure |
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| Formula |
C14H12F3NO4
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| Molecular Weight |
315.247
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| Canonical SMILES |
CC(=C)C(=O)OC1(Oc2cc(C)ccc2NC1=O)C(F)(F)F
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| InChI |
InChI=1S/C14H12F3NO4/c1-7(2)11(19)22-13(14(15,16)17)12(20)18-9-5-4-8(3)6-10(9)21-13/h4-6H,1H2,2-3H3,(H,18,20)
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| InChIKey |
PSEOZXIJUNTMJP-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: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06124, Paired box protein Pax-8