
 CHEMBL2164206

 68 70  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0
  1 35  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL2164206

>  <PubChem CID>
57384005

>  <Formula>
C24H34ClN5O3S

>  <Molecular Weight>
508.078000

>  <IUPAC Name>
6-chloro-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide

>  <XlogP>
3.8

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=CC(=NC(=C1C(=O)NCCC(C)N2CCC(CC2)N(CC3=CSC=C3)C(=O)NOC)C)Cl

>  <Isomeric SMILES>
CC1=CC(=NC(=C1C(=O)NCC[C@@H](C)N2CCC(CC2)N(CC3=CSC=C3)C(=O)NOC)C)Cl

>  <InChI Std. ID>
InChI=1S/C24H34ClN5O3S/c1-16-13-21(25)27-18(3)22(16)23(31)26-9-5-17(2)29-10-6-20(7-11-29)30(24(32)28-33-4)14-19-8-12-34-15-19/h8,12-13,15,17,20H,5-7,9-11,14H2,1-4H3,(H,26,31)(H,28,32)/t17-/m1/s1

>  <InChI Key>
AOXSXQRGGNJIMQ-QGZVFWFLSA-N

