
 CHEMBL2336414

 90 96  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL2336414

>  <PubChem CID>
71569532

>  <Formula>
C35H42N8O5

>  <Molecular Weight>
654.772000

>  <IUPAC Name>
N-[(2R)-3-(4-cyano-2-oxo-3H-1,3-benzoxazol-6-yl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide

>  <XlogP>
2.5

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
C1CCN(CC1)C2CCN(CC2)C(=O)C(CC3=CC4=C(C(=C3)C#N)NC(=O)O4)NC(=O)N5CCC(CC5)N6CC7=CC=CC=C7NC6=O

>  <Isomeric SMILES>
C1CCN(CC1)C2CCN(CC2)C(=O)[C@@H](CC3=CC4=C(C(=C3)C#N)NC(=O)O4)NC(=O)N5CCC(CC5)N6CC7=CC=CC=C7NC6=O

>  <InChI Std. ID>
InChI=1S/C35H42N8O5/c36-21-25-18-23(20-30-31(25)39-35(47)48-30)19-29(32(44)41-14-8-26(9-15-41)40-12-4-1-5-13-40)38-33(45)42-16-10-27(11-17-42)43-22-24-6-2-3-7-28(24)37-34(43)46/h2-3,6-7,18,20,26-27,29H,1,4-5,8-17,19,22H2,(H,37,46)(H,38,45)(H,39,47)/t29-/m1/s1

>  <InChI Key>
CYSYJTDVKKBUGF-GDLZYMKVSA-N

