
 CHEMBL128388

 76 81  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL128388

>  <PubChem CID>
10391259

>  <Formula>
C28H41N3O3S

>  <Molecular Weight>
499.714000

>  <IUPAC Name>
1-[(1R,3S,4S)-7,7-dimethyl-4-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylsulfonylmethyl)-3-bicyclo[2.2.1]heptanyl]-3-(methylamino)pyrrolidin-2-one

>  <XlogP>
4.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1(C2CCC1(C(C2)N3CCC(C3=O)NC)CS(=O)(=O)N4CCC5(CCC6=CC=CC=C65)CC4)C

>  <Isomeric SMILES>
CC1([C@@H]2CC[C@]1([C@H](C2)N3CCC(C3=O)NC)CS(=O)(=O)N4CCC5(CCC6=CC=CC=C65)CC4)C

>  <InChI Std. ID>
InChI=1S/C28H41N3O3S/c1-26(2)21-9-12-28(26,24(18-21)31-15-10-23(29-3)25(31)32)19-35(33,34)30-16-13-27(14-17-30)11-8-20-6-4-5-7-22(20)27/h4-7,21,23-24,29H,8-19H2,1-3H3/t21-,23?,24+,28-/m1/s1

>  <InChI Key>
CKXVTFJGNRLOKF-XFSSTXOUSA-N

