
 CHEMBL1834751

 71 76  0  0  0  0  0  0  0  0999 V2000
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   12.5091   -6.3512    3.6681 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1834751

>  <PubChem CID>
56589598

>  <Formula>
C31H31F2N5O2

>  <Molecular Weight>
543.619000

>  <IUPAC Name>
6-(5,8-difluoro-4-methyl-1-oxophthalazin-2-yl)-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-3-carboxamide

>  <XlogP>
4.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC1=NN(C(=O)C2=C(C=CC(=C12)F)F)C3=NC=C(C=C3)C(=O)NC4CCCC5=C4C=CC(=C5)CN6CCCCC6

>  <Isomeric SMILES>
CC1=NN(C(=O)C2=C(C=CC(=C12)F)F)C3=NC=C(C=C3)C(=O)N[C@@H]4CCCC5=C4C=CC(=C5)CN6CCCCC6

>  <InChI Std. ID>
InChI=1S/C31H31F2N5O2/c1-19-28-24(32)11-12-25(33)29(28)31(40)38(36-19)27-13-9-22(17-34-27)30(39)35-26-7-5-6-21-16-20(8-10-23(21)26)18-37-14-3-2-4-15-37/h8-13,16-17,26H,2-7,14-15,18H2,1H3,(H,35,39)/t26-/m1/s1

>  <InChI Key>
RNZVZOQUASDNJY-AREMUKBSSA-N

