General Information of the Compound
| Compound ID |
CP0422272
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| Compound Name |
1-(4-fluorophenyl)-1-[2-[[(2S)-3-hydroxy-3-methylbutan-2-yl]amino]pyrimidin-4-yl]-3-(2-methylphenyl)urea
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| Structure |
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| Formula |
C23H26FN5O2
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| Molecular Weight |
423.492
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| Canonical SMILES |
C[C@H](Nc1nccc(n1)N(C(=O)Nc1ccccc1C)c1ccc(F)cc1)C(C)(C)O
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| InChI |
InChI=1S/C23H26FN5O2/c1-15-7-5-6-8-19(15)27-22(30)29(18-11-9-17(24)10-12-18)20-13-14-25-21(28-20)26-16(2)23(3,4)31/h5-14,16,31H,1-4H3,(H,27,30)(H,25,26,28)/t16-/m0/s1
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| InChIKey |
SXWWCGAEMNLHEL-INIZCTEOSA-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