General Information of the Compound
| Compound ID |
CP0259931
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| Compound Name |
4-[[2-[(2R)-2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]pyrimidin-5-yl]oxymethyl]pyridine-3-carbonitrile
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| Structure |
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| Formula |
C19H20N8O2
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| Molecular Weight |
392.423
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| Canonical SMILES |
C[C@@H]1CN(CCN1c1ncc(OCc2ccncc2C#N)cn1)c1noc(C)n1
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| InChI |
InChI=1S/C19H20N8O2/c1-13-11-26(19-24-14(2)29-25-19)5-6-27(13)18-22-9-17(10-23-18)28-12-15-3-4-21-8-16(15)7-20/h3-4,8-10,13H,5-6,11-12H2,1-2H3/t13-/m1/s1
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| InChIKey |
QIRMKHKIAOSXTB-CYBMUJFWSA-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