General Information of the Compound
| Compound ID |
CP0489407
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| Compound Name |
4-N-[2-[(2-aminopyrimidin-4-yl)-methylamino]ethyl]-6-phenylpyrimidine-2,4-diamine
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| Structure |
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| Formula |
C17H20N8
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| Molecular Weight |
336.403
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| Canonical SMILES |
CN(CCNc1cc(nc(N)n1)-c1ccccc1)c1ccnc(N)n1
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| InChI |
InChI=1S/C17H20N8/c1-25(15-7-8-21-16(18)24-15)10-9-20-14-11-13(22-17(19)23-14)12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3,(H2,18,21,24)(H3,19,20,22,23)
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| InChIKey |
VMQZZVABIMMLNE-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