
 CHEMBL522158

 72 77  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL522158

>  <PubChem CID>
10371054

>  <Formula>
C30H32Cl2N4O4

>  <Molecular Weight>
583.510000

>  <IUPAC Name>
8-[2-[3-(3,4-dichlorophenyl)-1-(furan-2-carbonyl)pyrrolidin-3-yl]oxyethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

>  <XlogP>
4.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)CCOC4(CCN(C4)C(=O)C5=CC=CO5)C6=CC(=C(C=C6)Cl)Cl

>  <Isomeric SMILES>
C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)CCOC4(CCN(C4)C(=O)C5=CC=CO5)C6=CC(=C(C=C6)Cl)Cl

>  <InChI Std. ID>
InChI=1S/C30H32Cl2N4O4/c31-24-9-8-22(19-25(24)32)30(12-15-35(20-30)27(37)26-7-4-17-39-26)40-18-16-34-13-10-29(11-14-34)28(38)33-21-36(29)23-5-2-1-3-6-23/h1-9,17,19H,10-16,18,20-21H2,(H,33,38)

>  <InChI Key>
AAFIDRUCDKVRAX-UHFFFAOYSA-N

