General Information of the Compound
| Compound ID |
CP0002266
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| Compound Name |
5-[4-methoxy-2,5-di(propan-2-yl)phenoxy]pyrimidine-2,4-diamine
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| Structure |
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| Formula |
C17H24N4O2
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| Molecular Weight |
316.405
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| Canonical SMILES |
COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1C(C)C
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| InChI |
InChI=1S/C17H24N4O2/c1-9(2)11-7-14(12(10(3)4)6-13(11)22-5)23-15-8-20-17(19)21-16(15)18/h6-10H,1-5H3,(H4,18,19,20,21)
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| InChIKey |
SXAAXDVCLIWUTC-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