
 CHEMBL355506

 67 71  0  0  0  0  0  0  0  0999 V2000
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  1  6  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL355506

>  <PubChem CID>
44381871

>  <Formula>
C28H29Cl2N5O3

>  <Molecular Weight>
554.472000

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

>  <XlogP>
3.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

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

>  <InChI Std. ID>
InChI=1S/C28H29Cl2N5O3/c29-22-7-6-21(16-23(22)30)28(18-35(19-38-28)25(36)24-17-32-11-12-33-24)10-15-34-13-8-27(9-14-34,26(31)37)20-4-2-1-3-5-20/h1-7,11-12,16-17H,8-10,13-15,18-19H2,(H2,31,37)/t28-/m0/s1

>  <InChI Key>
ANHLAQSORCGQGS-NDEPHWFRSA-N

