
 CHEMBL106300

 83 87  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL106300

>  <PubChem CID>
44337208

>  <Formula>
C34H39Cl2N5O3

>  <Molecular Weight>
636.618000

>  <IUPAC Name>
(2S)-2-amino-1-[4-[[2-[(2R)-2-(3,4-dichlorophenyl)-4-(3,5-dimethylbenzoyl)piperazin-1-yl]-2-oxoethyl]amino]piperidin-1-yl]-2-phenylethanone

>  <XlogP>
4.6

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=CC(=CC(=C1)C(=O)N2CCN(C(C2)C3=CC(=C(C=C3)Cl)Cl)C(=O)CNC4CCN(CC4)C(=O)C(C5=CC=CC=C5)N)C

>  <Isomeric SMILES>
CC1=CC(=CC(=C1)C(=O)N2CCN([C@@H](C2)C3=CC(=C(C=C3)Cl)Cl)C(=O)CNC4CCN(CC4)C(=O)[C@H](C5=CC=CC=C5)N)C

>  <InChI Std. ID>
InChI=1S/C34H39Cl2N5O3/c1-22-16-23(2)18-26(17-22)33(43)40-14-15-41(30(21-40)25-8-9-28(35)29(36)19-25)31(42)20-38-27-10-12-39(13-11-27)34(44)32(37)24-6-4-3-5-7-24/h3-9,16-19,27,30,32,38H,10-15,20-21,37H2,1-2H3/t30-,32-/m0/s1

>  <InChI Key>
AKWFEANKAWGNIH-CDZUIXILSA-N

