General Information of the Compound
| Compound ID |
CP0574634
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| Compound Name |
1-[[5-tert-butyl-2-(3-fluorophenyl)pyrazol-3-yl]methyl]-3-(1H-indazol-4-yl)urea
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| Formula |
C22H23FN6O
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| Molecular Weight |
406.465
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| Canonical SMILES |
CC(C)(C)c1cc(CNC(=O)Nc2cccc3[nH]ncc23)n(n1)-c1cccc(F)c1
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| InChI |
InChI=1S/C22H23FN6O/c1-22(2,3)20-11-16(29(28-20)15-7-4-6-14(23)10-15)12-24-21(30)26-18-8-5-9-19-17(18)13-25-27-19/h4-11,13H,12H2,1-3H3,(H,25,27)(H2,24,26,30)
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| InChIKey |
AWTCHHGOLRGURG-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