
 SCHEMBL566013

 63 66  0  0  0  0  0  0  0  0999 V2000
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    7.1332   -4.2421    5.0016 H   0  0  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL566013

>  <PubChem CID>
46195170

>  <Formula>
C24H30N4O5

>  <Molecular Weight>
454.527000

>  <IUPAC Name>
2-amino-2-[[5-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroindol-1-yl]methyl]propane-1,3-diol

>  <XlogP>
1.9

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
CCOC1=C(C=C(C=C1)C2=NC(=NO2)C3=CC4=C(C=C3)N(CC4)CC(CO)(CO)N)OCC

>  <Isomeric SMILES>
CCOC1=C(C=C(C=C1)C2=NC(=NO2)C3=CC4=C(C=C3)N(CC4)CC(CO)(CO)N)OCC

>  <InChI Std. ID>
InChI=1S/C24H30N4O5/c1-3-31-20-8-6-18(12-21(20)32-4-2)23-26-22(27-33-23)17-5-7-19-16(11-17)9-10-28(19)13-24(25,14-29)15-30/h5-8,11-12,29-30H,3-4,9-10,13-15,25H2,1-2H3

>  <InChI Key>
ARJYSAJMGKMECN-UHFFFAOYSA-N

