
 CHEMBL274955

 64 68  0  0  0  0  0  0  0  0999 V2000
    2.4825   -0.8914   -0.8772 C   0  0  0  0  0
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    5.8107    3.1074   -2.7149 H   0  0  0  0  0
    6.0499    1.7570   -3.8041 H   0  0  0  0  0
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    8.0763    2.6912   -3.5536 H   0  0  0  0  0
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    2.5482    1.8332   -0.2887 H   0  0  0  0  0
    4.4913    4.3466    1.6455 H   0  0  0  0  0
    3.1368    3.3344    2.1387 H   0  0  0  0  0
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    0.7472    2.9988    1.9908 H   0  0  0  0  0
    5.6539   -0.5831    0.4662 H   0  0  0  0  0
    4.5018   -1.8942    0.5340 H   0  0  0  0  0
    4.0818   -0.3121    1.1978 H   0  0  0  0  0
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  2  3  1  0  0  0
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  3  4  1  0  0  0
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  4  5  1  0  0  0
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  5 37  1  0  0  0
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  6  7  1  0  0  0
  6 12  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL274955

>  <PubChem CID>
10432863

>  <Formula>
C24H34N2O3S

>  <Molecular Weight>
430.607000

>  <IUPAC Name>
(1R,3S,4S)-3-(aminomethyl)-7,7-dimethyl-4-(spiro[indene-1,4'-piperidine]-1'-ylsulfonylmethyl)bicyclo[2.2.1]heptan-3-ol

>  <XlogP>
2.9

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1(C2CCC1(C(C2)(CN)O)CS(=O)(=O)N3CCC4(CC3)C=CC5=CC=CC=C45)C

>  <Isomeric SMILES>
CC1([C@@H]2CC[C@]1([C@@](C2)(CN)O)CS(=O)(=O)N3CCC4(CC3)C=CC5=CC=CC=C45)C

>  <InChI Std. ID>
InChI=1S/C24H34N2O3S/c1-21(2)19-8-10-23(21,24(27,15-19)16-25)17-30(28,29)26-13-11-22(12-14-26)9-7-18-5-3-4-6-20(18)22/h3-7,9,19,27H,8,10-17,25H2,1-2H3/t19-,23+,24-/m1/s1

>  <InChI Key>
DKSALKIFWFBTCZ-VEXUSMLFSA-N

