
 CHEMBL2010848

 57 60  0  0  0  0  0  0  0  0999 V2000
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    2.5265   -4.3015    0.6472 H   0  0  0  0  0
    3.1589   -3.4584   -2.9089 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL2010848

>  <PubChem CID>
70695705

>  <Formula>
C22H23F4N7O

>  <Molecular Weight>
477.468000

>  <IUPAC Name>
N-[(3S,4R)-3-fluoro-1-[[5-(trifluoromethyl)pyridin-2-yl]methyl]piperidin-4-yl]-N-methyl-2-[4-(tetrazol-1-yl)phenyl]acetamide

>  <XlogP>
2.6

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
10

>  <Canonical SMILES>
CN(C1CCN(CC1F)CC2=NC=C(C=C2)C(F)(F)F)C(=O)CC3=CC=C(C=C3)N4C=NN=N4

>  <Isomeric SMILES>
CN([C@@H]1CCN(C[C@@H]1F)CC2=NC=C(C=C2)C(F)(F)F)C(=O)CC3=CC=C(C=C3)N4C=NN=N4

>  <InChI Std. ID>
InChI=1S/C22H23F4N7O/c1-31(21(34)10-15-2-6-18(7-3-15)33-14-28-29-30-33)20-8-9-32(13-19(20)23)12-17-5-4-16(11-27-17)22(24,25)26/h2-7,11,14,19-20H,8-10,12-13H2,1H3/t19-,20+/m0/s1

>  <InChI Key>
BOSVYVGSGZEAPB-VQTJNVASSA-N

