
 CHEMBL2059880

 86 92  0  0  0  0  0  0  0  0999 V2000
    1.7404    3.1105   -1.4806 C   0  0  0  0  0
    0.7836    1.9631   -1.7913 C   0  0  0  0  0
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    2.2004   -4.3461    2.4610 H   0  0  0  0  0
    1.2619   -5.3196   -2.7307 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL2059880

>  <PubChem CID>
70694802

>  <Formula>
C34H42N6O3S

>  <Molecular Weight>
614.809000

>  <IUPAC Name>
N-[(2R)-3-(1-benzothiophen-3-yl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide

>  <XlogP>
4.6

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CCN(CC1)C2CCN(CC2)C(=O)C(CC3=CSC4=CC=CC=C43)NC(=O)N5CCC(CC5)N6C7=CC=CC=C7NC6=O

>  <Isomeric SMILES>
C1CCN(CC1)C2CCN(CC2)C(=O)[C@@H](CC3=CSC4=CC=CC=C43)NC(=O)N5CCC(CC5)N6C7=CC=CC=C7NC6=O

>  <InChI Std. ID>
InChI=1S/C34H42N6O3S/c41-32(38-18-12-25(13-19-38)37-16-6-1-7-17-37)29(22-24-23-44-31-11-5-2-8-27(24)31)36-33(42)39-20-14-26(15-21-39)40-30-10-4-3-9-28(30)35-34(40)43/h2-5,8-11,23,25-26,29H,1,6-7,12-22H2,(H,35,43)(H,36,42)/t29-/m1/s1

>  <InChI Key>
CCCSWRIKNOQGJG-GDLZYMKVSA-N

