
 CHEMBL558259

 71 75  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL558259

>  <PubChem CID>
91900491

>  <Formula>
C27H38N4O2

>  <Molecular Weight>
450.627000

>  <IUPAC Name>
2-oxo-N-[(1R,5R)-8-(2-piperidin-1-ylethyl)-8-azabicyclo[3.2.1]octan-3-yl]-1-propan-2-ylquinoline-3-carboxamide

>  <XlogP>
3.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC(C)N1C2=CC=CC=C2C=C(C1=O)C(=O)NC3CC4CCC(C3)N4CCN5CCCCC5

>  <Isomeric SMILES>
CC(C)N1C2=CC=CC=C2C=C(C1=O)C(=O)NC3C[C@H]4CC[C@H](C3)N4CCN5CCCCC5

>  <InChI Std. ID>
InChI=1S/C27H38N4O2/c1-19(2)31-25-9-5-4-8-20(25)16-24(27(31)33)26(32)28-21-17-22-10-11-23(18-21)30(22)15-14-29-12-6-3-7-13-29/h4-5,8-9,16,19,21-23H,3,6-7,10-15,17-18H2,1-2H3,(H,28,32)/t22-,23-/m1/s1

>  <InChI Key>
BJSRZLQQZKFWNU-DHIUTWEWSA-N

