
 CHEMBL156461

 56 59  0  0  0  0  0  0  0  0999 V2000
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    1.4111    1.4663   -0.3228 H   0  0  0  0  0
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    0.3381   -2.3517   -1.1162 H   0  0  0  0  0
    1.5542   -1.9164    1.0102 H   0  0  0  0  0
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    1.2932   -0.9503    3.7056 H   0  0  0  0  0
    0.3752   -2.1523    2.7978 H   0  0  0  0  0
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  1  6  1  0  0  0
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  1 29  1  0  0  0
  1 30  1  0  0  0
  2  3  1  0  0  0
  2 31  1  0  0  0
  2 32  1  0  0  0
  3  4  1  0  0  0
  3 16  1  0  0  0
  4  5  1  0  0  0
  4 33  1  0  0  0
  4 34  1  0  0  0
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  5 35  1  0  0  0
  5 36  1  0  0  0
  6  7  1  0  0  0
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  7 37  1  0  0  0
  7 38  1  0  0  0
  8  9  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL156461

>  <PubChem CID>
10668473

>  <Formula>
C22H28N4OS

>  <Molecular Weight>
396.553000

>  <IUPAC Name>
[4-(3-phenylpropyl)piperazin-1-yl]-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone

>  <XlogP>
2.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CN(CCN1CCCC2=CC=CC=C2)C(=O)C3CSC(N3)C4=CN=CC=C4

>  <Isomeric SMILES>
C1CN(CCN1CCCC2=CC=CC=C2)C(=O)[C@@H]3CSC(N3)C4=CN=CC=C4

>  <InChI Std. ID>
InChI=1S/C22H28N4OS/c27-22(20-17-28-21(24-20)19-9-4-10-23-16-19)26-14-12-25(13-15-26)11-5-8-18-6-2-1-3-7-18/h1-4,6-7,9-10,16,20-21,24H,5,8,11-15,17H2/t20-,21?/m0/s1

>  <InChI Key>
FHKSAMKFFJMXMV-BGERDNNASA-N

