General Information of the Compound
| Compound ID |
CP0430033
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| Compound Name |
1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-[3-[5-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]urea
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| Structure |
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| Formula |
C24H16F4N6O
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| Molecular Weight |
480.425
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| Canonical SMILES |
Fc1ccc(cc1NC(=O)Nc1cccc(c1)-c1c[nH]c2ncc(cc12)-c1cn[nH]c1)C(F)(F)F
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| InChI |
InChI=1S/C24H16F4N6O/c25-20-5-4-16(24(26,27)28)8-21(20)34-23(35)33-17-3-1-2-13(6-17)19-12-30-22-18(19)7-14(9-29-22)15-10-31-32-11-15/h1-12H,(H,29,30)(H,31,32)(H2,33,34,35)
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| InChIKey |
JSDJGQNZDVHBTJ-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: PT00954, Receptor-interacting serine/threonine-protein kinase 1