General Information of the Compound
| Compound ID |
CP0525968
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| Compound Name |
3-[2-Amino-6-(4-chloro-phenylamino)-pyrimidin-4-yl]-4-methyl-phenol
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| Structure |
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| Formula |
C17H15ClN4O
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| Molecular Weight |
326.787
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| Canonical SMILES |
Cc1ccc(O)cc1-c1cc(Nc2ccc(Cl)cc2)nc(N)n1
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| InChI |
InChI=1S/C17H15ClN4O/c1-10-2-7-13(23)8-14(10)15-9-16(22-17(19)21-15)20-12-5-3-11(18)4-6-12/h2-9,23H,1H3,(H3,19,20,21,22)
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| InChIKey |
HCVVWDIMNNOLIE-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