General Information of the Compound
| Compound ID |
CP0248068
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| Compound Name |
2-[[5-chloro-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]-N-methylbenzamide
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| Structure |
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| Formula |
C22H23ClN6O2
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| Molecular Weight |
438.919
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| Canonical SMILES |
CNC(=O)c1ccccc1Nc1nc(Nc2ccc(cc2)N2CCOCC2)ncc1Cl
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| InChI |
InChI=1S/C22H23ClN6O2/c1-24-21(30)17-4-2-3-5-19(17)27-20-18(23)14-25-22(28-20)26-15-6-8-16(9-7-15)29-10-12-31-13-11-29/h2-9,14H,10-13H2,1H3,(H,24,30)(H2,25,26,27,28)
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| InChIKey |
TXKAUDBYYFLZJL-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: PT01427, Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase