
 CHEMBL3883388

 64 68  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3883388

>  <PubChem CID>
134131479

>  <Formula>
C27H27Cl2FN4O3

>  <Molecular Weight>
545.436000

>  <IUPAC Name>
2-(3,4-dichlorophenyl)-6-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy]-4,5-dimethylpyridazin-3-one

>  <XlogP>
6.0

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC1=C(C(=O)N(N=C1OCCCN2CCC(CC2)C3=NOC4=C3C=CC(=C4)F)C5=CC(=C(C=C5)Cl)Cl)C

>  <Isomeric SMILES>
CC1=C(C(=O)N(N=C1OCCCN2CCC(CC2)C3=NOC4=C3C=CC(=C4)F)C5=CC(=C(C=C5)Cl)Cl)C

>  <InChI Std. ID>
InChI=1S/C27H27Cl2FN4O3/c1-16-17(2)27(35)34(20-5-7-22(28)23(29)15-20)31-26(16)36-13-3-10-33-11-8-18(9-12-33)25-21-6-4-19(30)14-24(21)37-32-25/h4-7,14-15,18H,3,8-13H2,1-2H3

>  <InChI Key>
AATQZRYKNHNEDJ-UHFFFAOYSA-N

