
 CHEMBL350153

 70 74  0  0  0  0  0  0  0  0999 V2000
   -3.4400    4.3798   -1.8605 C   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL350153

>  <PubChem CID>
10600063

>  <Formula>
C28H36N4O2

>  <Molecular Weight>
460.622000

>  <IUPAC Name>
(4S)-4-[[3-[2-[(3S)-3-[[benzyl(methyl)amino]methyl]pyrrolidin-1-yl]ethyl]-1H-indol-5-yl]methyl]-3-methyl-1,3-oxazolidin-2-one

>  <XlogP>
4.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CN1C(COC1=O)CC2=CC3=C(C=C2)NC=C3CCN4CCC(C4)CN(C)CC5=CC=CC=C5

>  <Isomeric SMILES>
CN1[C@H](COC1=O)CC2=CC3=C(C=C2)NC=C3CCN4CC[C@H](C4)CN(C)CC5=CC=CC=C5

>  <InChI Std. ID>
InChI=1S/C28H36N4O2/c1-30(17-21-6-4-3-5-7-21)18-23-10-12-32(19-23)13-11-24-16-29-27-9-8-22(15-26(24)27)14-25-20-34-28(33)31(25)2/h3-9,15-16,23,25,29H,10-14,17-20H2,1-2H3/t23-,25-/m0/s1

>  <InChI Key>
BDAPYHMNZXWDPN-ZCYQVOJMSA-N

