General Information of the Compound
| Compound ID |
CP0876839
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| Compound Name |
5-(2,5-Difluoro-benzyl)-2-pyridin-2-yl-pyrimidine-4,6-diamine
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| Structure |
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| Formula |
C16H13F2N5
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| Molecular Weight |
313.311
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| Canonical SMILES |
Nc1nc(-c2ccccn2)nc(N)c1Cc1cc(F)ccc1F
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| InChI |
InChI=1S/C16H13F2N5/c17-10-4-5-12(18)9(7-10)8-11-14(19)22-16(23-15(11)20)13-3-1-2-6-21-13/h1-7H,8H2,(H4,19,20,22,23)
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| InChIKey |
DSMMVCNMITVEJR-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