General Information of the Compound
| Compound ID |
CP0959839
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| Compound Name |
Isobutyl-(5-methoxy-2-pyridin-2-yl-pyrimidin-4-yl)-amine
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| Structure |
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| Formula |
C14H18N4O
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| Molecular Weight |
258.325
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| Canonical SMILES |
COc1cnc(-c2ccccn2)nc1NCC(C)C
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| InChI |
InChI=1S/C14H18N4O/c1-10(2)8-16-14-12(19-3)9-17-13(18-14)11-6-4-5-7-15-11/h4-7,9-10H,8H2,1-3H3,(H,16,17,18)
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| InChIKey |
ZKKFQESIRQBYSB-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