
 CHEMBL417458

 86 91  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL417458

>  <PubChem CID>
44273346

>  <Formula>
C31H46N4O4S

>  <Molecular Weight>
570.793000

>  <IUPAC Name>
3-[2-(dimethylamino)ethylamino]-1-[(3S,4S)-7,7-dimethyl-4-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylsulfonylmethyl)-3-bicyclo[2.2.1]heptanyl]pyrrolidine-2,5-dione

>  <XlogP>
3.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC1(C2CCC1(C(C2)N3C(=O)CC(C3=O)NCCN(C)C)CS(=O)(=O)N4CCC5(CCC6=CC=CC=C65)CC4)C

>  <Isomeric SMILES>
CC1(C2CC[C@]1([C@H](C2)N3C(=O)CC(C3=O)NCCN(C)C)CS(=O)(=O)N4CCC5(CCC6=CC=CC=C65)CC4)C

>  <InChI Std. ID>
InChI=1S/C31H46N4O4S/c1-29(2)23-10-12-31(29,26(19-23)35-27(36)20-25(28(35)37)32-15-18-33(3)4)21-40(38,39)34-16-13-30(14-17-34)11-9-22-7-5-6-8-24(22)30/h5-8,23,25-26,32H,9-21H2,1-4H3/t23?,25?,26-,31+/m0/s1

>  <InChI Key>
COMZNWYUZVTMOW-PWUBUQNJSA-N

