
 MLS003315743

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M  END

>  <Chemical Name>
MLS003315743

>  <PubChem CID>
51360401

>  <Formula>
C26H30N6O2

>  <Molecular Weight>
458.566000

>  <IUPAC Name>
1-[cyclopropyl-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)tetrazol-5-yl]methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine

>  <XlogP>
3.5

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
C1CC1C(C2=NN=NN2C3=CC4=C(C=C3)OCCO4)N5CCN(CC5)CC=CC6=CC=CC=C6

>  <Isomeric SMILES>
C1CC1C(C2=NN=NN2C3=CC4=C(C=C3)OCCO4)N5CCN(CC5)C/C=C/C6=CC=CC=C6

>  <InChI Std. ID>
InChI=1S/C26H30N6O2/c1-2-5-20(6-3-1)7-4-12-30-13-15-31(16-14-30)25(21-8-9-21)26-27-28-29-32(26)22-10-11-23-24(19-22)34-18-17-33-23/h1-7,10-11,19,21,25H,8-9,12-18H2/b7-4+

>  <InChI Key>
GQCTZPDRDMYTLZ-QPJJXVBHSA-N

