General Information of the Compound
| Compound ID |
CP0570091
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| Compound Name |
1-[[5-tert-butyl-2-(3-fluorophenyl)pyrazol-3-yl]methyl]-3-(2-oxo-1H-quinolin-5-yl)urea
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| Formula |
C24H24FN5O2
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| Molecular Weight |
433.487
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| Canonical SMILES |
CC(C)(C)c1cc(CNC(=O)Nc2cccc3[nH]c(=O)ccc23)n(n1)-c1cccc(F)c1
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| InChI |
InChI=1S/C24H24FN5O2/c1-24(2,3)21-13-17(30(29-21)16-7-4-6-15(25)12-16)14-26-23(32)28-20-9-5-8-19-18(20)10-11-22(31)27-19/h4-13H,14H2,1-3H3,(H,27,31)(H2,26,28,32)
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| InChIKey |
JUROBYCXYIADBZ-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