
 CHEMBL443237

 69 73  0  0  0  0  0  0  0  0999 V2000
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  1  6  1  0  0  0
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  1 39  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL443237

>  <PubChem CID>
44382712

>  <Formula>
C30H31Cl2N3O3

>  <Molecular Weight>
552.496000

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

>  <XlogP>
5.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

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

>  <InChI Std. ID>
InChI=1S/C30H31Cl2N3O3/c31-25-12-11-24(19-26(25)32)30(20-35(21-38-30)27(36)22-7-3-1-4-8-22)15-18-34-16-13-29(14-17-34,28(33)37)23-9-5-2-6-10-23/h1-12,19H,13-18,20-21H2,(H2,33,37)/t30-/m0/s1

>  <InChI Key>
BPASKODRCRZSFX-PMERELPUSA-N

