General Information of the Compound
| Compound ID |
CP0002271
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| Compound Name |
5-[(2-cyclobutyl-4,5-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine
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| Structure |
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| Formula |
C17H22N4O2
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| Molecular Weight |
314.389
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| Canonical SMILES |
COc1cc(Cc2cnc(N)nc2N)c(cc1OC)C1CCC1
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| InChI |
InChI=1S/C17H22N4O2/c1-22-14-7-11(6-12-9-20-17(19)21-16(12)18)13(8-15(14)23-2)10-4-3-5-10/h7-10H,3-6H2,1-2H3,(H4,18,19,20,21)
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| InChIKey |
YXFWFTUMJXICLQ-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