
 CHEMBL1086514

 58 62  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL1086514

>  <PubChem CID>
11531634

>  <Formula>
C27H27N3O

>  <Molecular Weight>
409.533000

>  <IUPAC Name>
1-[4-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]phenyl]pyridin-4-one

>  <XlogP>
5.0

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1CCCN1CCC2=CC3=C(C=C2)N=C(C=C3)C4=CC=C(C=C4)N5C=CC(=O)C=C5

>  <Isomeric SMILES>
C[C@@H]1CCCN1CCC2=CC3=C(C=C2)N=C(C=C3)C4=CC=C(C=C4)N5C=CC(=O)C=C5

>  <InChI Std. ID>
InChI=1S/C27H27N3O/c1-20-3-2-15-29(20)16-12-21-4-10-27-23(19-21)7-11-26(28-27)22-5-8-24(9-6-22)30-17-13-25(31)14-18-30/h4-11,13-14,17-20H,2-3,12,15-16H2,1H3/t20-/m1/s1

>  <InChI Key>
AFPODXVEPNVDCE-HXUWFJFHSA-N

