
 BDBM50097804

 64 68  0  0  0  0  0  0  0  0999 V2000
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    3.4472   -1.1841    1.3298 H   0  0  0  0  0
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    3.5017   -2.0525    3.5875 H   0  0  0  0  0
    2.9437    0.6463    3.1461 H   0  0  0  0  0
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    3.5594   -2.4724    8.0885 H   0  0  0  0  0
    1.6927   -1.4617    9.3528 H   0  0  0  0  0
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M  END

>  <Chemical Name>
BDBM50097804

>  <PubChem CID>
91931607

>  <Formula>
C26H28N4O5S

>  <Molecular Weight>
508.593000

>  <IUPAC Name>
4-hydroxy-5-[[4-[4-[[(2R)-2-hydroxy-2-[(2-oxo-1H-quinolin-5-yl)oxy]ethyl]amino]piperidin-1-yl]phenyl]methyl]-3H-1,3-thiazol-2-one

>  <XlogP>
2.9

>  <Hydrogen Bond Donors>
5

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
C1CN(CCC1NCC(O)OC2=CC=CC3=C2C=CC(=O)N3)C4=CC=C(C=C4)CC5=C(NC(=O)S5)O

>  <Isomeric SMILES>
C1CN(CCC1NC[C@H](O)OC2=CC=CC3=C2C=CC(=O)N3)C4=CC=C(C=C4)CC5=C(NC(=O)S5)O

>  <InChI Std. ID>
InChI=1S/C26H28N4O5S/c31-23-9-8-19-20(28-23)2-1-3-21(19)35-24(32)15-27-17-10-12-30(13-11-17)18-6-4-16(5-7-18)14-22-25(33)29-26(34)36-22/h1-9,17,24,27,32-33H,10-15H2,(H,28,31)(H,29,34)/t24-/m1/s1

>  <InChI Key>
BIKQQCJDQLEKDX-XMMPIXPASA-N

