
 CHEMBL385607

 72 74  0  0  0  0  0  0  0  0999 V2000
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   15.3192   -3.2999    1.1674 H   0  0  0  0  0
   14.9414   -2.4459   -1.1355 H   0  0  0  0  0
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   15.9001    1.1123   -1.3351 H   0  0  0  0  0
   14.4055   -0.3578   -3.1497 H   0  0  0  0  0
   15.5349   -1.0708   -4.2735 H   0  0  0  0  0
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   13.8914   10.8084    4.9966 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL385607

>  <PubChem CID>
44419299

>  <Formula>
C28H35FN4O4

>  <Molecular Weight>
510.610000

>  <IUPAC Name>
2-[(2S,4R)-2-[3-[(3,5-diacetylphenyl)carbamoylamino]propyl]-4-[(4-fluorophenyl)methyl]piperidin-1-yl]acetamide

>  <XlogP>
2.9

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC(=O)C1=CC(=CC(=C1)NC(=O)NCCCC2CC(CCN2CC(=O)N)CC3=CC=C(C=C3)F)C(=O)C

>  <Isomeric SMILES>
CC(=O)C1=CC(=CC(=C1)NC(=O)NCCC[C@H]2C[C@@H](CCN2CC(=O)N)CC3=CC=C(C=C3)F)C(=O)C

>  <InChI Std. ID>
InChI=1S/C28H35FN4O4/c1-18(34)22-14-23(19(2)35)16-25(15-22)32-28(37)31-10-3-4-26-13-21(9-11-33(26)17-27(30)36)12-20-5-7-24(29)8-6-20/h5-8,14-16,21,26H,3-4,9-13,17H2,1-2H3,(H2,30,36)(H2,31,32,37)/t21-,26-/m0/s1

>  <InChI Key>
BRTWZDQCGNRNRK-LVXARBLLSA-N

