General Information of the Compound
| Compound ID |
CP0901654
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| Compound Name |
5-(2-Fluoro-benzyl)-2-(5-methoxy-pyridin-2-yl)-pyrimidine-4,6-diamine
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| Structure |
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| Formula |
C17H16FN5O
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| Molecular Weight |
325.347
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| Canonical SMILES |
COc1ccc(-c2nc(N)c(Cc3ccccc3F)c(N)n2)nc1
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| InChI |
InChI=1S/C17H16FN5O/c1-24-11-6-7-14(21-9-11)17-22-15(19)12(16(20)23-17)8-10-4-2-3-5-13(10)18/h2-7,9H,8H2,1H3,(H4,19,20,22,23)
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| InChIKey |
OBHKXFHJUZQHPR-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