
 CHEMBL377843

 68 74  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL377843

>  <PubChem CID>
11635274

>  <Formula>
C32H28F4N4

>  <Molecular Weight>
544.598000

>  <IUPAC Name>
3-[4-[6-(cyclopropylmethyl)-2-[5-fluoro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-6-azaspiro[2.5]octan-2-yl]phenyl]benzonitrile

>  <XlogP>
7.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
C1CC1CN2CCC3(CC2)CC3(C4=CC=C(C=C4)C5=CC=CC(=C5)C#N)C6=NC7=C(N6)C=C(C(=C7)F)C(F)(F)F

>  <Isomeric SMILES>
C1CC1CN2CCC3(CC2)CC3(C4=CC=C(C=C4)C5=CC=CC(=C5)C#N)C6=NC7=C(N6)C=C(C(=C7)F)C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C32H28F4N4/c33-26-16-28-27(15-25(26)32(34,35)36)38-29(39-28)31(19-30(31)10-12-40(13-11-30)18-20-4-5-20)24-8-6-22(7-9-24)23-3-1-2-21(14-23)17-37/h1-3,6-9,14-16,20H,4-5,10-13,18-19H2,(H,38,39)

>  <InChI Key>
LDNCQUAOPIRLNF-UHFFFAOYSA-N

