General Information of the Compound
| Compound ID |
CP0552245
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| Compound Name |
3-(2-chlorophenyl)-1-(4-fluorophenyl)-1-[2-[[(2S)-3-hydroxy-3-methylbutan-2-yl]amino]pyrimidin-4-yl]urea
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| Structure |
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| Formula |
C22H23ClFN5O2
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| Molecular Weight |
443.91
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| Canonical SMILES |
C[C@H](Nc1nccc(n1)N(C(=O)Nc1ccccc1Cl)c1ccc(F)cc1)C(C)(C)O
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| InChI |
InChI=1S/C22H23ClFN5O2/c1-14(22(2,3)31)26-20-25-13-12-19(28-20)29(16-10-8-15(24)9-11-16)21(30)27-18-7-5-4-6-17(18)23/h4-14,31H,1-3H3,(H,27,30)(H,25,26,28)/t14-/m0/s1
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| InChIKey |
IMVYTDSIYAAPON-AWEZNQCLSA-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