
 CHEMBL11592

 70 73  0  0  0  0  0  0  0  0999 V2000
    4.3515    3.8168   -1.0926 C   0  0  0  0  0
    5.3060    3.3098   -0.0236 C   0  0  0  0  0
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    6.6535   -5.0700   -3.7018 H   0  0  0  0  0
    7.0759   -3.4059   -4.1228 H   0  0  0  0  0
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    6.4375   -3.3821    5.7560 H   0  0  0  0  0
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    1.7000    1.0329    1.2161 H   0  0  0  0  0
    2.6396    1.3260    2.6851 H   0  0  0  0  0
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  1 33  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL11592

>  <PubChem CID>
121852

>  <Formula>
C26H38N2O4

>  <Molecular Weight>
442.600000

>  <IUPAC Name>
8-[4-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]butyl]-8-azaspiro[4.5]decane-7,9-dione

>  <XlogP>
4.6

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)C3CC4=C(C=CC=C4OC)OC3

>  <Isomeric SMILES>
CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)C3CC4=C(C=CC=C4OC)OC3

>  <InChI Std. ID>
InChI=1S/C26H38N2O4/c1-3-13-27(20-16-21-22(31-2)9-8-10-23(21)32-19-20)14-6-7-15-28-24(29)17-26(18-25(28)30)11-4-5-12-26/h8-10,20H,3-7,11-19H2,1-2H3

>  <InChI Key>
DLLULNTXJPATBC-UHFFFAOYSA-N

