
 CHEMBL3128178

 57 61  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3128178

>  <PubChem CID>
76322043

>  <Formula>
C24H26N4O2S

>  <Molecular Weight>
434.558000

>  <IUPAC Name>
(4R)-N-[4-[[(2S,5R)-5-[(R)-hydroxy(pyridin-3-yl)methyl]pyrrolidin-2-yl]methyl]phenyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide

>  <XlogP>
2.4

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1CC(NC1CC2=CC=C(C=C2)NC(=O)C3CCC4=C3N=CS4)C(C5=CN=CC=C5)O

>  <Isomeric SMILES>
C1C[C@@H](N[C@@H]1CC2=CC=C(C=C2)NC(=O)[C@@H]3CCC4=C3N=CS4)[C@@H](C5=CN=CC=C5)O

>  <InChI Std. ID>
InChI=1S/C24H26N4O2S/c29-23(16-2-1-11-25-13-16)20-9-7-18(27-20)12-15-3-5-17(6-4-15)28-24(30)19-8-10-21-22(19)26-14-31-21/h1-6,11,13-14,18-20,23,27,29H,7-10,12H2,(H,28,30)/t18-,19+,20+,23+/m0/s1

>  <InChI Key>
OYURTPRHVJSKRC-DZCCDHAISA-N

