
 CHEMBL193033

 83 86  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL193033

>  <PubChem CID>
12052412

>  <Formula>
C32H43N5O3

>  <Molecular Weight>
545.728000

>  <IUPAC Name>
N-[(2S)-1-[[(3S)-1-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]pyrrolidin-3-yl]amino]-4-methyl-1-oxopentan-2-yl]quinoline-2-carboxamide

>  <XlogP>
5.0

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC(C)CC(C(=O)NC1CCN(C1)CC2=CC=C(C=C2)OCCCN(C)C)NC(=O)C3=NC4=CC=CC=C4C=C3

>  <Isomeric SMILES>
CC(C)C[C@@H](C(=O)N[C@H]1CCN(C1)CC2=CC=C(C=C2)OCCCN(C)C)NC(=O)C3=NC4=CC=CC=C4C=C3

>  <InChI Std. ID>
InChI=1S/C32H43N5O3/c1-23(2)20-30(35-31(38)29-15-12-25-8-5-6-9-28(25)34-29)32(39)33-26-16-18-37(22-26)21-24-10-13-27(14-11-24)40-19-7-17-36(3)4/h5-6,8-15,23,26,30H,7,16-22H2,1-4H3,(H,33,39)(H,35,38)/t26-,30-/m0/s1

>  <InChI Key>
ASRPYBALJOUGHC-YZNIXAGQSA-N

