General Information of the Compound
| Compound ID |
CP0534937
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| Compound Name |
2-[2-Amino-6-(4-chloro-phenylamino)-pyrimidin-4-yl]-4-bromo-phenol
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| Structure |
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| Formula |
C16H12BrClN4O
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| Molecular Weight |
391.656
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| Canonical SMILES |
Nc1nc(Nc2ccc(Cl)cc2)cc(n1)-c1cc(Br)ccc1O
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| InChI |
InChI=1S/C16H12BrClN4O/c17-9-1-6-14(23)12(7-9)13-8-15(22-16(19)21-13)20-11-4-2-10(18)3-5-11/h1-8,23H,(H3,19,20,21,22)
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| InChIKey |
MYFFHPXKSOKBKL-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