
 CHEMBL249857

 75 78  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL249857

>  <PubChem CID>
44445886

>  <Formula>
C27H37FN6O3S

>  <Molecular Weight>
544.690000

>  <IUPAC Name>
(3S,4S)-3-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)carbamoylamino]-4-[[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-N-methylpiperidine-1-carboxamide

>  <XlogP>
3.3

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC1=C(SC(=N1)NC(=O)NC2CN(CCC2CN3CCCC(C3)CC4=CC=C(C=C4)F)C(=O)NC)C(=O)C

>  <Isomeric SMILES>
CC1=C(SC(=N1)NC(=O)N[C@@H]2CN(CC[C@H]2CN3CCC[C@H](C3)CC4=CC=C(C=C4)F)C(=O)NC)C(=O)C

>  <InChI Std. ID>
InChI=1S/C27H37FN6O3S/c1-17-24(18(2)35)38-26(30-17)32-25(36)31-23-16-34(27(37)29-3)12-10-21(23)15-33-11-4-5-20(14-33)13-19-6-8-22(28)9-7-19/h6-9,20-21,23H,4-5,10-16H2,1-3H3,(H,29,37)(H2,30,31,32,36)/t20-,21-,23+/m0/s1

>  <InChI Key>
AYMZHWSWFBAEIT-QNWVGRARSA-N

