General Information of the Compound
| Compound ID |
CP0059630
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| Compound Name |
4-[[2-[(2R)-2-methyl-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]pyrimidin-5-yl]oxymethyl]pyridine-3-carbonitrile
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| Structure |
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| Formula |
C21H24N8O2
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| Molecular Weight |
420.477
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| Canonical SMILES |
CC(C)c1noc(n1)N1CCN([C@H](C)C1)c1ncc(OCc2ccncc2C#N)cn1
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| InChI |
InChI=1S/C21H24N8O2/c1-14(2)19-26-21(31-27-19)28-6-7-29(15(3)12-28)20-24-10-18(11-25-20)30-13-16-4-5-23-9-17(16)8-22/h4-5,9-11,14-15H,6-7,12-13H2,1-3H3/t15-/m1/s1
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| InChIKey |
FZVZKIUKIXHKNV-OAHLLOKOSA-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