
 CHEMBL423101

 77 82  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL423101

>  <PubChem CID>
10325955

>  <Formula>
C33H35ClN6O2

>  <Molecular Weight>
583.133000

>  <IUPAC Name>
(3R)-N-[(2R)-3-(4-chlorophenyl)-1-[4-[2-(imidazol-1-ylmethyl)phenyl]piperazin-1-yl]-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

>  <XlogP>
4.1

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CN(CCN1C2=CC=CC=C2CN3C=CN=C3)C(=O)C(CC4=CC=C(C=C4)Cl)NC(=O)C5CC6=CC=CC=C6CN5

>  <Isomeric SMILES>
C1CN(CCN1C2=CC=CC=C2CN3C=CN=C3)C(=O)[C@@H](CC4=CC=C(C=C4)Cl)NC(=O)[C@H]5CC6=CC=CC=C6CN5

>  <InChI Std. ID>
InChI=1S/C33H35ClN6O2/c34-28-11-9-24(10-12-28)19-30(37-32(41)29-20-25-5-1-2-6-26(25)21-36-29)33(42)40-17-15-39(16-18-40)31-8-4-3-7-27(31)22-38-14-13-35-23-38/h1-14,23,29-30,36H,15-22H2,(H,37,41)/t29-,30-/m1/s1

>  <InChI Key>
BVTKLQRLIKZFNA-LOYHVIPDSA-N

