
 SCHEMBL1447914

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M  END

>  <Chemical Name>
SCHEMBL1447914

>  <PubChem CID>
58190329

>  <Formula>
C22H24N8O3

>  <Molecular Weight>
448.487000

>  <IUPAC Name>
4-[[2-[(2R)-2-methyl-4-[5-(3-methyloxetan-3-yl)-1,2,4-oxadiazol-3-yl]piperazin-1-yl]pyrimidin-5-yl]oxymethyl]pyridine-3-carbonitrile

>  <XlogP>
1.6

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
11

>  <Canonical SMILES>
CC1CN(CCN1C2=NC=C(C=N2)OCC3=C(C=NC=C3)C#N)C4=NOC(=N4)C5(COC5)C

>  <Isomeric SMILES>
C[C@@H]1CN(CCN1C2=NC=C(C=N2)OCC3=C(C=NC=C3)C#N)C4=NOC(=N4)C5(COC5)C

>  <InChI Std. ID>
InChI=1S/C22H24N8O3/c1-15-11-29(21-27-19(33-28-21)22(2)13-31-14-22)5-6-30(15)20-25-9-18(10-26-20)32-12-16-3-4-24-8-17(16)7-23/h3-4,8-10,15H,5-6,11-14H2,1-2H3/t15-/m1/s1

>  <InChI Key>
KDUFKSXCNQIELO-OAHLLOKOSA-N

