
 CHEMBL315873

 81 85  0  0  0  0  0  0  0  0999 V2000
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    6.0043   -3.8441    5.9661 H   0  0  0  0  0
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    3.2821   -4.4930   10.7724 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL315873

>  <PubChem CID>
11801362

>  <Formula>
C31H40N4O5S

>  <Molecular Weight>
580.744000

>  <IUPAC Name>
1-[2-[4-[(2-butyl-1,4-dioxo-2,3-diazaspiro[4.4]nonan-3-yl)methyl]phenyl]phenyl]sulfonyl-3-cyclohexylurea

>  <XlogP>
6.1

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CCCCN1C(=O)C2(CCCC2)C(=O)N1CC3=CC=C(C=C3)C4=CC=CC=C4S(=O)(=O)NC(=O)NC5CCCCC5

>  <Isomeric SMILES>
CCCCN1C(=O)C2(CCCC2)C(=O)N1CC3=CC=C(C=C3)C4=CC=CC=C4S(=O)(=O)NC(=O)NC5CCCCC5

>  <InChI Std. ID>
InChI=1S/C31H40N4O5S/c1-2-3-21-34-28(36)31(19-9-10-20-31)29(37)35(34)22-23-15-17-24(18-16-23)26-13-7-8-14-27(26)41(39,40)33-30(38)32-25-11-5-4-6-12-25/h7-8,13-18,25H,2-6,9-12,19-22H2,1H3,(H2,32,33,38)

>  <InChI Key>
BEIVIEJLXARNLI-UHFFFAOYSA-N

