General Information of the Compound
| Compound ID |
CP0159984
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| Compound Name |
4,6-bis(2-prop-2-ynoxyphenyl)pyrimidin-2-amine
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| Structure |
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| Formula |
C22H17N3O2
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| Molecular Weight |
355.397
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| Canonical SMILES |
Nc1nc(cc(n1)-c1ccccc1OCC#C)-c1ccccc1OCC#C
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| InChI |
InChI=1S/C22H17N3O2/c1-3-13-26-20-11-7-5-9-16(20)18-15-19(25-22(23)24-18)17-10-6-8-12-21(17)27-14-4-2/h1-2,5-12,15H,13-14H2,(H2,23,24,25)
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| InChIKey |
XGNJPCLWXNJTRH-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