
 CHEMBL368392

 82 87  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL368392

>  <PubChem CID>
44386374

>  <Formula>
C32H39N5O5S

>  <Molecular Weight>
605.754000

>  <IUPAC Name>
(5Z)-5-[[4-[4-[[(2S)-2-hydroxy-3-[(8-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxy]propyl]amino]piperidin-1-yl]phenyl]methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one

>  <XlogP>
3.4

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
C1CCN(CC1)C2=NC(=O)C(=CC3=CC=C(C=C3)N4CCC(CC4)NCC(COC5=C6CCC(=O)NC6=C(C=C5)O)O)S2

>  <Isomeric SMILES>
C1CCN(CC1)C2=NC(=O)/C(=C/C3=CC=C(C=C3)N4CCC(CC4)NC[C@@H](COC5=C6CCC(=O)NC6=C(C=C5)O)O)/S2

>  <InChI Std. ID>
InChI=1S/C32H39N5O5S/c38-24(20-42-27-10-9-26(39)30-25(27)8-11-29(40)34-30)19-33-22-12-16-36(17-13-22)23-6-4-21(5-7-23)18-28-31(41)35-32(43-28)37-14-2-1-3-15-37/h4-7,9-10,18,22,24,33,38-39H,1-3,8,11-17,19-20H2,(H,34,40)/b28-18-/t24-/m0/s1

>  <InChI Key>
BFACSCQFBISBNQ-LKSMXUKOSA-N

