
 CHEMBL517962

 47 50  0  0  0  0  0  0  0  0999 V2000
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    3.7250    2.2076    3.0229 S   0  0  0  0  0
    5.3605    2.1684    2.4255 C   0  0  0  0  0
    5.8054    1.2836    1.5526 N   0  0  0  0  0
    7.1149    1.6379    1.3622 C   0  0  0  0  0
    8.1099    1.0861    0.5460 C   0  0  0  0  0
    9.3809    1.6801    0.5616 C   0  0  0  0  0
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    7.4214    2.7368    2.1463 C   0  0  0  0  0
    6.2981    3.0828    2.8355 O   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL517962

>  <PubChem CID>
24949388

>  <Formula>
C19H22N4OS

>  <Molecular Weight>
354.472000

>  <IUPAC Name>
2-[3-(4-pyridin-2-ylpiperazin-1-yl)propylsulfanyl]-1,3-benzoxazole

>  <XlogP>
3.9

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1CN(CCN1CCCSC2=NC3=CC=CC=C3O2)C4=CC=CC=N4

>  <Isomeric SMILES>
C1CN(CCN1CCCSC2=NC3=CC=CC=C3O2)C4=CC=CC=N4

>  <InChI Std. ID>
InChI=1S/C19H22N4OS/c1-2-7-17-16(6-1)21-19(24-17)25-15-5-10-22-11-13-23(14-12-22)18-8-3-4-9-20-18/h1-4,6-9H,5,10-15H2

>  <InChI Key>
AHNRDNGNUMIWLX-UHFFFAOYSA-N

