
 CHEMBL495169

 58 62  0  0  0  0  0  0  0  0999 V2000
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    0.6576    3.2240    0.4185 H   0  0  0  0  0
    0.9345    4.4933    1.5955 H   0  0  0  0  0
    1.6719    5.1772   -2.5330 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL495169

>  <PubChem CID>
18004895

>  <Formula>
C24H25N5O3S

>  <Molecular Weight>
463.556000

>  <IUPAC Name>
1-methylsulfonyl-N-(5-phenylpyrimidin-2-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxamide

>  <XlogP>
2.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CS(=O)(=O)N1CC2(CCN(CC2)C(=O)NC3=NC=C(C=N3)C4=CC=CC=C4)C5=CC=CC=C51

>  <Isomeric SMILES>
CS(=O)(=O)N1CC2(CCN(CC2)C(=O)NC3=NC=C(C=N3)C4=CC=CC=C4)C5=CC=CC=C51

>  <InChI Std. ID>
InChI=1S/C24H25N5O3S/c1-33(31,32)29-17-24(20-9-5-6-10-21(20)29)11-13-28(14-12-24)23(30)27-22-25-15-19(16-26-22)18-7-3-2-4-8-18/h2-10,15-16H,11-14,17H2,1H3,(H,25,26,27,30)

>  <InChI Key>
BICHPJZKROOPGI-UHFFFAOYSA-N

