
 CHEMBL128328

 72 76  0  0  0  0  0  0  0  0999 V2000
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    6.6768    1.3758    3.8357 H   0  0  0  0  0
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    0.2310    8.8571    1.6227 H   0  0  0  0  0
   -2.5956    7.8167    1.2244 H   0  0  0  0  0
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   -3.4049    8.2627    4.2550 H   0  0  0  0  0
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    2.7269   -0.4697    1.9131 H   0  0  0  0  0
  1  2  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL128328

>  <PubChem CID>
10435004

>  <Formula>
C26H39N3O3S

>  <Molecular Weight>
473.676000

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

>  <XlogP>
3.600

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1(C2CCC1(C(C2)NC(=O)CCN)CS(=O)(=O)N3CCC4(CCC5=CC=CC=C54)CC3)C

>  <Isomeric SMILES>
CC1([C@@H]2CC[C@]1([C@H](C2)NC(=O)CCN)CS(=O)(=O)N3CCC4(CCC5=CC=CC=C54)CC3)C

>  <InChI Std. ID>
InChI=1S/C26H39N3O3S/c1-24(2)20-8-11-26(24,22(17-20)28-23(30)9-14-27)18-33(31,32)29-15-12-25(13-16-29)10-7-19-5-3-4-6-21(19)25/h3-6,20,22H,7-18,27H2,1-2H3,(H,28,30)/t20-,22+,26-/m1/s1

>  <InChI Key>
ACRJFLNATMBKDE-LIXHSBQKSA-N

