General Information of the Compound
| Compound ID |
CP0007631
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| Compound Name |
5-[4-(4-fluorophenyl)-5-methoxy-2-propan-2-ylphenoxy]pyrimidine-2,4-diamine
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| Structure |
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| Formula |
C20H21FN4O2
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| Molecular Weight |
368.412
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| Canonical SMILES |
COc1cc(Oc2cnc(N)nc2N)c(cc1-c1ccc(F)cc1)C(C)C
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| InChI |
InChI=1S/C20H21FN4O2/c1-11(2)14-8-15(12-4-6-13(21)7-5-12)16(26-3)9-17(14)27-18-10-24-20(23)25-19(18)22/h4-11H,1-3H3,(H4,22,23,24,25)
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| InChIKey |
WRLPRSJDJPPCQU-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