
 CHEMBL1278113

 56 60  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL1278113

>  <PubChem CID>
49836522

>  <Formula>
C24H28N2O2

>  <Molecular Weight>
376.500000

>  <IUPAC Name>
4-[(5S)-spiro[6,11-dihydrodibenzo[1,2-b:1',2'-f][7]annulene-5,3'-cyclopentane]-1'-yl]piperazine-2-carboxylic acid

>  <XlogP>
1.6

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CC2(CC1N3CCNC(C3)C(=O)O)CC4=CC=CC=C4CC5=CC=CC=C25

>  <Isomeric SMILES>
C1C[C@@]2(CC1N3CCNC(C3)C(=O)O)CC4=CC=CC=C4CC5=CC=CC=C25

>  <InChI Std. ID>
InChI=1S/C24H28N2O2/c27-23(28)22-16-26(12-11-25-22)20-9-10-24(15-20)14-19-7-2-1-5-17(19)13-18-6-3-4-8-21(18)24/h1-8,20,22,25H,9-16H2,(H,27,28)/t20?,22?,24-/m0/s1

>  <InChI Key>
AYWYOYAKLYFQAR-JVPYDEADSA-N

