
 CHEMBL107363

 77 80  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL107363

>  <PubChem CID>
44337251

>  <Formula>
C30H40BrN3O3

>  <Molecular Weight>
570.572000

>  <IUPAC Name>
[4-[4-[(Z)-C-(4-bromophenyl)-N-(2-methoxyethoxy)carbonimidoyl]piperidin-1-yl]-4-methylpiperidin-1-yl]-(2,6-dimethylphenyl)methanone

>  <XlogP>
5.9

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=C(C(=CC=C1)C)C(=O)N2CCC(CC2)(C)N3CCC(CC3)C(=NOCCOC)C4=CC=C(C=C4)Br

>  <Isomeric SMILES>
CC1=C(C(=CC=C1)C)C(=O)N2CCC(CC2)(C)N3CCC(CC3)/C(=N/OCCOC)/C4=CC=C(C=C4)Br

>  <InChI Std. ID>
InChI=1S/C30H40BrN3O3/c1-22-6-5-7-23(2)27(22)29(35)33-18-14-30(3,15-19-33)34-16-12-25(13-17-34)28(32-37-21-20-36-4)24-8-10-26(31)11-9-24/h5-11,25H,12-21H2,1-4H3/b32-28+

>  <InChI Key>
BPFLSMSQDIWLJL-VEWQFJOQSA-N

