General Information of the Compound
| Compound ID |
CP0324935
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| Compound Name |
4-(3-methoxy-4-prop-2-ynoxyphenyl)-6-(4-prop-2-ynoxyphenyl)pyrimidin-2-amine
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| Structure |
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| Formula |
C23H19N3O3
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| Molecular Weight |
385.423
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| Canonical SMILES |
COc1cc(ccc1OCC#C)-c1cc(nc(N)n1)-c1ccc(OCC#C)cc1
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| InChI |
InChI=1S/C23H19N3O3/c1-4-12-28-18-9-6-16(7-10-18)19-15-20(26-23(24)25-19)17-8-11-21(29-13-5-2)22(14-17)27-3/h1-2,6-11,14-15H,12-13H2,3H3,(H2,24,25,26)
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| InChIKey |
DSAIHYLTNIZWHK-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