General Information of the Compound
| Compound ID |
CP0529664
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| Compound Name |
4-N-[2-[(2-amino-6-chloropyrimidin-4-yl)amino]ethyl]-6-phenylpyrimidine-2,4-diamine
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| Structure |
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| Formula |
C16H17ClN8
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| Molecular Weight |
356.821
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| Canonical SMILES |
Nc1nc(Cl)cc(NCCNc2cc(nc(N)n2)-c2ccccc2)n1
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| InChI |
InChI=1S/C16H17ClN8/c17-12-9-14(25-16(19)23-12)21-7-6-20-13-8-11(22-15(18)24-13)10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H3,18,20,22,24)(H3,19,21,23,25)
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| InChIKey |
RZTPFYFGKLIYGT-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