General Information of the Compound
| Compound ID |
CP0909680
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| Compound Name |
5-(4-Fluoro-benzyl)-2-pyridin-2-yl-pyrimidine-4,6-diamine
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| Structure |
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| Formula |
C16H14FN5
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| Molecular Weight |
295.321
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| Canonical SMILES |
Nc1nc(-c2ccccn2)nc(N)c1Cc1ccc(F)cc1
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| InChI |
InChI=1S/C16H14FN5/c17-11-6-4-10(5-7-11)9-12-14(18)21-16(22-15(12)19)13-3-1-2-8-20-13/h1-8H,9H2,(H4,18,19,21,22)
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| InChIKey |
JRECLTNSIRZAIQ-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