
 CHEMBL565388

 93 98  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL565388

>  <PubChem CID>
44596967

>  <Formula>
C38H44N6O5

>  <Molecular Weight>
664.807000

>  <IUPAC Name>
N-[(4R)-4-(3,4-dimethoxyphenyl)-4-[1,3-dioxo-4-[4-[(1R)-1-phenylethyl]piperazin-1-yl]isoindol-2-yl]butyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide

>  <XlogP>
5.0

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CC1=C(C(=NN1)C)C(=O)NCCCC(C2=CC(=C(C=C2)OC)OC)N3C(=O)C4=C(C3=O)C(=CC=C4)N5CCN(CC5)C(C)C6=CC=CC=C6

>  <Isomeric SMILES>
CC1=C(C(=NN1)C)C(=O)NCCC[C@H](C2=CC(=C(C=C2)OC)OC)N3C(=O)C4=C(C3=O)C(=CC=C4)N5CCN(CC5)[C@H](C)C6=CC=CC=C6

>  <InChI Std. ID>
InChI=1S/C38H44N6O5/c1-24-34(25(2)41-40-24)36(45)39-18-10-15-30(28-16-17-32(48-4)33(23-28)49-5)44-37(46)29-13-9-14-31(35(29)38(44)47)43-21-19-42(20-22-43)26(3)27-11-7-6-8-12-27/h6-9,11-14,16-17,23,26,30H,10,15,18-22H2,1-5H3,(H,39,45)(H,40,41)/t26-,30-/m1/s1

>  <InChI Key>
CZWJHNWGEGYHNZ-PDDLMNHVSA-N

