
 CHEMBL1935105

 54 56  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL1935105

>  <PubChem CID>
57399327

>  <Formula>
C20H26F3N3O2

>  <Molecular Weight>
397.442000

>  <IUPAC Name>
6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-(2,2,2-trifluoroethyl)-4,5-dihydropyridazin-3-one

>  <XlogP>
3.5

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC1CCCN1CCCOC2=CC=C(C=C2)C3=NN(C(=O)CC3)CC(F)(F)F

>  <Isomeric SMILES>
C[C@@H]1CCCN1CCCOC2=CC=C(C=C2)C3=NN(C(=O)CC3)CC(F)(F)F

>  <InChI Std. ID>
InChI=1S/C20H26F3N3O2/c1-15-4-2-11-25(15)12-3-13-28-17-7-5-16(6-8-17)18-9-10-19(27)26(24-18)14-20(21,22)23/h5-8,15H,2-4,9-14H2,1H3/t15-/m1/s1

>  <InChI Key>
AUEHJIRPPASYIB-OAHLLOKOSA-N

