
 CHEMBL3218879

 56 60  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3218879

>  <PubChem CID>
90666007

>  <Formula>
C22H29N3OS

>  <Molecular Weight>
383.554000

>  <IUPAC Name>


>  <XlogP>
6.3

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CCC(CC1)CN2CCC(CC2)COC3=NC4=C(N5C3=CC=C5)SC=C4

>  <Isomeric SMILES>
C1CCC(CC1)CN2CCC(CC2)COC3=NC4=C(N5C3=CC=C5)SC=C4

>  <InChI Std. ID>
InChI=1S/C22H29N3OS/c1-2-5-17(6-3-1)15-24-12-8-18(9-13-24)16-26-21-20-7-4-11-25(20)22-19(23-21)10-14-27-22/h4,7,10-11,14,17-18H,1-3,5-6,8-9,12-13,15-16H2

>  <InChI Key>
FDKVWYMLLXDHFI-UHFFFAOYSA-N

