General Information of the Compound
| Compound ID |
CP0308331
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| Compound Name |
1-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-1H-pyrrole-2,5-dione
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| Structure |
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| Formula |
C12H9ClF3N3O2
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| Molecular Weight |
319.67
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| Canonical SMILES |
FC(F)(F)c1cnc(NCCN2C(=O)C=CC2=O)c(Cl)c1
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| InChI |
InChI=1S/C12H9ClF3N3O2/c13-8-5-7(12(14,15)16)6-18-11(8)17-3-4-19-9(20)1-2-10(19)21/h1-2,5-6H,3-4H2,(H,17,18)
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| InChIKey |
XRJVXAMPYWOKBH-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: PT01214, Tyrosine-protein kinase JAK2