General Information of the Compound
| Compound ID |
CP0178477
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| Compound Name |
2-(2-aminoethylamino)-4-(phenylamino)pyrimidine-5-carboxamide
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| Structure |
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| Formula |
C13H16N6O
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| Molecular Weight |
272.312
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| Canonical SMILES |
NCCNc1ncc(C(N)=O)c(Nc2ccccc2)n1
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| InChI |
InChI=1S/C13H16N6O/c14-6-7-16-13-17-8-10(11(15)20)12(19-13)18-9-4-2-1-3-5-9/h1-5,8H,6-7,14H2,(H2,15,20)(H2,16,17,18,19)
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| InChIKey |
MJRLHEORMJRXGM-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