General Information of the Compound
| Compound ID |
CP0954517
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| Compound Name |
5-(2-Fluoro-benzyl)-2-(5-propoxy-pyridin-2-yl)-pyrimidine-4,6-diamine
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| Structure |
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| Formula |
C19H20FN5O
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| Molecular Weight |
353.401
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| Canonical SMILES |
CCCOc1ccc(-c2nc(N)c(Cc3ccccc3F)c(N)n2)nc1
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| InChI |
InChI=1S/C19H20FN5O/c1-2-9-26-13-7-8-16(23-11-13)19-24-17(21)14(18(22)25-19)10-12-5-3-4-6-15(12)20/h3-8,11H,2,9-10H2,1H3,(H4,21,22,24,25)
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| InChIKey |
YSMGQFWDABHTGT-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