
 CHEMBL2018514

 86 92  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL2018514

>  <PubChem CID>
24756769

>  <Formula>
C34H42N6O4

>  <Molecular Weight>
598.748000

>  <IUPAC Name>
2-(1H-indazol-5-ylmethyl)-4-(2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-yl)-1-(4-piperidin-1-ylpiperidin-1-yl)butane-1,4-dione

>  <XlogP>
3.3

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1CCN(CC1)C2CCN(CC2)C(=O)C(CC3=CC4=C(C=C3)NN=C4)CC(=O)N5CCC6(CC5)C7=CC=CC=C7NC(=O)O6

>  <Isomeric SMILES>
C1CCN(CC1)C2CCN(CC2)C(=O)C(CC3=CC4=C(C=C3)NN=C4)CC(=O)N5CCC6(CC5)C7=CC=CC=C7NC(=O)O6

>  <InChI Std. ID>
InChI=1S/C34H42N6O4/c41-31(39-18-12-34(13-19-39)28-6-2-3-7-30(28)36-33(43)44-34)22-25(20-24-8-9-29-26(21-24)23-35-37-29)32(42)40-16-10-27(11-17-40)38-14-4-1-5-15-38/h2-3,6-9,21,23,25,27H,1,4-5,10-20,22H2,(H,35,37)(H,36,43)

>  <InChI Key>
CKYJFRMGHIKMOC-UHFFFAOYSA-N

