General Information of the Compound
| Compound ID |
CP0432766
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| Compound Name |
1-[4-({[4-(2,4-diamino-6-ethylpyrimidin-5-yl)phenyl]amino}methyl)phenyl]ethan-1-one
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| Structure |
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| Formula |
C21H23N5O
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| Molecular Weight |
361.449
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| Canonical SMILES |
CCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(cc2)C(C)=O)cc1
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| InChI |
InChI=1S/C21H23N5O/c1-3-18-19(20(22)26-21(23)25-18)16-8-10-17(11-9-16)24-12-14-4-6-15(7-5-14)13(2)27/h4-11,24H,3,12H2,1-2H3,(H4,22,23,25,26)
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| InChIKey |
RBQSARCIGLNTFF-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