
 CHEMBL64139

 55 58  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL64139

>  <PubChem CID>
44304603

>  <Formula>
C23H26BrN3OS

>  <Molecular Weight>
472.445000

>  <IUPAC Name>
1-[(3S)-1-benzylpyrrolidin-3-yl]-N-[[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]methanamine

>  <XlogP>
4.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
COC1=C(C=C(C=C1)Br)C2=NC(=CS2)CNCC3CCN(C3)CC4=CC=CC=C4

>  <Isomeric SMILES>
COC1=C(C=C(C=C1)Br)C2=NC(=CS2)CNC[C@@H]3CCN(C3)CC4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C23H26BrN3OS/c1-28-22-8-7-19(24)11-21(22)23-26-20(16-29-23)13-25-12-18-9-10-27(15-18)14-17-5-3-2-4-6-17/h2-8,11,16,18,25H,9-10,12-15H2,1H3/t18-/m0/s1

>  <InChI Key>
FYSSSSIVDTYBFD-SFHVURJKSA-N

