
 CHEMBL2336416

 89 95  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL2336416

>  <PubChem CID>
11377534

>  <Formula>
C34H42BrN7O5

>  <Molecular Weight>
708.658000

>  <IUPAC Name>
N-[(2R)-3-(4-bromo-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>
3.4

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
6

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

>  <InChI Std. ID>
InChI=1S/C34H42BrN7O5/c35-26-18-22(20-29-30(26)38-34(46)47-29)19-28(31(43)40-14-8-24(9-15-40)39-12-4-1-5-13-39)37-32(44)41-16-10-25(11-17-41)42-21-23-6-2-3-7-27(23)36-33(42)45/h2-3,6-7,18,20,24-25,28H,1,4-5,8-17,19,21H2,(H,36,45)(H,37,44)(H,38,46)/t28-/m1/s1

>  <InChI Key>
BEZLXEJGNUZTPC-MUUNZHRXSA-N

