
 CHEMBL3128185

 67 72  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3128185

>  <PubChem CID>
76332892

>  <Formula>
C30H29FN4O2S

>  <Molecular Weight>
528.646000

>  <IUPAC Name>
(4R)-2-(4-fluorophenyl)-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>
4.2

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
C1CC(NC1CC2=CC=C(C=C2)NC(=O)C3CCC4=C3N=C(S4)C5=CC=C(C=C5)F)C(C6=CN=CC=C6)O

>  <Isomeric SMILES>
C1C[C@@H](N[C@@H]1CC2=CC=C(C=C2)NC(=O)[C@@H]3CCC4=C3N=C(S4)C5=CC=C(C=C5)F)[C@@H](C6=CN=CC=C6)O

>  <InChI Std. ID>
InChI=1S/C30H29FN4O2S/c31-21-7-5-19(6-8-21)30-35-27-24(12-14-26(27)38-30)29(37)34-22-9-3-18(4-10-22)16-23-11-13-25(33-23)28(36)20-2-1-15-32-17-20/h1-10,15,17,23-25,28,33,36H,11-14,16H2,(H,34,37)/t23-,24+,25+,28+/m0/s1

>  <InChI Key>
AHGPIPADZZLPDD-XVOBZGQLSA-N

