
 CHEMBL13383

 67 71  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL13383

>  <PubChem CID>
44268965

>  <Formula>
C28H32N4O3

>  <Molecular Weight>
472.589000

>  <IUPAC Name>
2-amino-N-[(2R)-3-(1H-indol-3-yl)-1-oxo-1-(3-oxospiro[1H-indene-2,3'-piperidine]-1'-yl)propan-2-yl]-2-methylpropanamide

>  <XlogP>
2.7

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC(C)(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)N3CCCC4(C3)CC5=CC=CC=C5C4=O)N

>  <Isomeric SMILES>
CC(C)(C(=O)N[C@H](CC1=CNC2=CC=CC=C21)C(=O)N3CCCC4(C3)CC5=CC=CC=C5C4=O)N

>  <InChI Std. ID>
InChI=1S/C28H32N4O3/c1-27(2,29)26(35)31-23(14-19-16-30-22-11-6-5-9-20(19)22)25(34)32-13-7-12-28(17-32)15-18-8-3-4-10-21(18)24(28)33/h3-6,8-11,16,23,30H,7,12-15,17,29H2,1-2H3,(H,31,35)/t23-,28?/m1/s1

>  <InChI Key>
AMDHVNLGQMUVQY-YFIOFSHDSA-N

