General Information of the Compound
| Compound ID |
CP0339739
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| Compound Name |
4-[[4-[cyclohexyl(methyl)amino]-5-methylpyrimidin-2-yl]amino]benzamide
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| Structure |
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| Formula |
C19H25N5O
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| Molecular Weight |
339.443
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| Canonical SMILES |
CN(C1CCCCC1)c1nc(Nc2ccc(cc2)C(N)=O)ncc1C
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| InChI |
InChI=1S/C19H25N5O/c1-13-12-21-19(22-15-10-8-14(9-11-15)17(20)25)23-18(13)24(2)16-6-4-3-5-7-16/h8-12,16H,3-7H2,1-2H3,(H2,20,25)(H,21,22,23)
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| InChIKey |
MHTFQIBQBHDDQE-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