
 CHEMBL1643587

 73 76  0  0  0  0  0  0  0  0999 V2000
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    4.0089    2.6274   -4.2294 H   0  0  0  0  0
    5.8904    1.5045   -3.2444 H   0  0  0  0  0
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   13.9587    4.0739   -2.6539 H   0  0  0  0  0
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   11.9564    1.9144   -3.4162 H   0  0  0  0  0
   12.8501    2.9987   -4.5036 H   0  0  0  0  0
   13.8923    0.5738   -4.0619 H   0  0  0  0  0
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   14.5499   11.3520   -1.3539 H   0  0  0  0  0
   14.1033   10.1368   -0.1477 H   0  0  0  0  0
   13.4751   10.0357   -1.8389 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1643587

>  <PubChem CID>
53316695

>  <Formula>
C28H37N3O3S2

>  <Molecular Weight>
527.742000

>  <IUPAC Name>
N-cyclopentyl-N-[[2-[4-[(2,2-dimethylpropylamino)methyl]phenyl]-1,3-thiazol-4-yl]methyl]-4-methoxybenzenesulfonamide

>  <XlogP>
5.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC(C)(C)CNCC1=CC=C(C=C1)C2=NC(=CS2)CN(C3CCCC3)S(=O)(=O)C4=CC=C(C=C4)OC

>  <Isomeric SMILES>
CC(C)(C)CNCC1=CC=C(C=C1)C2=NC(=CS2)CN(C3CCCC3)S(=O)(=O)C4=CC=C(C=C4)OC

>  <InChI Std. ID>
InChI=1S/C28H37N3O3S2/c1-28(2,3)20-29-17-21-9-11-22(12-10-21)27-30-23(19-35-27)18-31(24-7-5-6-8-24)36(32,33)26-15-13-25(34-4)14-16-26/h9-16,19,24,29H,5-8,17-18,20H2,1-4H3

>  <InChI Key>
AIIRTNRFIHOHNN-UHFFFAOYSA-N

