
 CHEMBL13891

 69 73  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL13891

>  <PubChem CID>
22867310

>  <Formula>
C28H34N4O3

>  <Molecular Weight>
474.605000

>  <IUPAC Name>
2-amino-N-[(2R)-1-(1-hydroxyspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide

>  <XlogP>
2.300

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC(C)(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)N3CCC4(CC3)CC5=CC=CC=C5C4O)N

>  <Isomeric SMILES>
CC(C)(C(=O)N[C@H](CC1=CNC2=CC=CC=C21)C(=O)N3CCC4(CC3)CC5=CC=CC=C5C4O)N

>  <InChI Std. ID>
InChI=1S/C28H34N4O3/c1-27(2,29)26(35)31-23(15-19-17-30-22-10-6-5-8-20(19)22)25(34)32-13-11-28(12-14-32)16-18-7-3-4-9-21(18)24(28)33/h3-10,17,23-24,30,33H,11-16,29H2,1-2H3,(H,31,35)/t23-,24?/m1/s1

>  <InChI Key>
MTTHLYGQGYOPFK-MIHMCVIASA-N

