
 CHEMBL352734

 68 72  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL352734

>  <PubChem CID>
44382745

>  <Formula>
C29H30Cl2N4O3

>  <Molecular Weight>
553.484000

>  <IUPAC Name>
1-[2-[(5R)-5-(3,4-dichlorophenyl)-3-(pyridine-2-carbonyl)-1,3-oxazolidin-5-yl]ethyl]-4-phenylpiperidine-4-carboxamide

>  <XlogP>
4.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CN(CCC1(C2=CC=CC=C2)C(=O)N)CCC3(CN(CO3)C(=O)C4=CC=CC=N4)C5=CC(=C(C=C5)Cl)Cl

>  <Isomeric SMILES>
C1CN(CCC1(C2=CC=CC=C2)C(=O)N)CC[C@]3(CN(CO3)C(=O)C4=CC=CC=N4)C5=CC(=C(C=C5)Cl)Cl

>  <InChI Std. ID>
InChI=1S/C29H30Cl2N4O3/c30-23-10-9-22(18-24(23)31)29(19-35(20-38-29)26(36)25-8-4-5-14-33-25)13-17-34-15-11-28(12-16-34,27(32)37)21-6-2-1-3-7-21/h1-10,14,18H,11-13,15-17,19-20H2,(H2,32,37)/t29-/m0/s1

>  <InChI Key>
ASZQOBRMUMDKOF-LJAQVGFWSA-N

