
 CHEMBL1257914

 62 66  0  0  0  0  0  0  0  0999 V2000
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    3.7676   -1.2735    1.1076 H   0  0  0  0  0
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    3.9131   -3.2432    2.7939 H   0  0  0  0  0
    4.5783   -1.8264    4.7339 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1257914

>  <PubChem CID>
24936489

>  <Formula>
C26H28N4O3S

>  <Molecular Weight>
476.595000

>  <IUPAC Name>
4-[2-hydroxy-3-[[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]amino]propoxy]phenol

>  <XlogP>
4.5

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
C1CN(CCC1NCC(COC2=CC=C(C=C2)O)O)C3=C4C(=CSC4=NC=N3)C5=CC=CC=C5

>  <Isomeric SMILES>
C1CN(CCC1NCC(COC2=CC=C(C=C2)O)O)C3=C4C(=CSC4=NC=N3)C5=CC=CC=C5

>  <InChI Std. ID>
InChI=1S/C26H28N4O3S/c31-20-6-8-22(9-7-20)33-15-21(32)14-27-19-10-12-30(13-11-19)25-24-23(18-4-2-1-3-5-18)16-34-26(24)29-17-28-25/h1-9,16-17,19,21,27,31-32H,10-15H2

>  <InChI Key>
AXDLDTSPXTUODG-UHFFFAOYSA-N

