
 CHEMBL494376

 53 57  0  0  0  0  0  0  0  0999 V2000
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    2.3452    4.2591    6.8605 N   0  0  0  0  0
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    0.0231    6.8218    7.4093 C   0  0  0  0  0
   -3.8466    7.3131    8.8489 Br  0  0  0  0  0
    1.4042    1.9551   -1.3663 H   0  0  0  0  0
    2.3298    2.4859    0.0138 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL494376

>  <PubChem CID>
22339933

>  <Formula>
C23H23BrN4O2

>  <Molecular Weight>
467.367000

>  <IUPAC Name>
4-[2-[3-[3-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]indol-1-yl]ethyl]morpholine

>  <XlogP>
4.1

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1COCCN1CCN2C=C(C3=CC=CC=C32)C4=NC(=NO4)CC5=CC=C(C=C5)Br

>  <Isomeric SMILES>
C1COCCN1CCN2C=C(C3=CC=CC=C32)C4=NC(=NO4)CC5=CC=C(C=C5)Br

>  <InChI Std. ID>
InChI=1S/C23H23BrN4O2/c24-18-7-5-17(6-8-18)15-22-25-23(30-26-22)20-16-28(21-4-2-1-3-19(20)21)10-9-27-11-13-29-14-12-27/h1-8,16H,9-15H2

>  <InChI Key>
CDLABKJCYUMROI-UHFFFAOYSA-N

