
 CHEMBL1834749

 71 76  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL1834749

>  <PubChem CID>
56594771

>  <Formula>
C31H33N5O2

>  <Molecular Weight>
507.638000

>  <IUPAC Name>
4-(8-methyl-5-oxopyrido[2,3-d]pyridazin-6-yl)-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide

>  <XlogP>
4.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=NN(C(=O)C2=C1N=CC=C2)C3=CC=C(C=C3)C(=O)NC4CCCC5=C4C=CC(=C5)CN6CCCCC6

>  <Isomeric SMILES>
CC1=NN(C(=O)C2=C1N=CC=C2)C3=CC=C(C=C3)C(=O)N[C@@H]4CCCC5=C4C=CC(=C5)CN6CCCCC6

>  <InChI Std. ID>
InChI=1S/C31H33N5O2/c1-21-29-27(8-6-16-32-29)31(38)36(34-21)25-13-11-23(12-14-25)30(37)33-28-9-5-7-24-19-22(10-15-26(24)28)20-35-17-3-2-4-18-35/h6,8,10-16,19,28H,2-5,7,9,17-18,20H2,1H3,(H,33,37)/t28-/m1/s1

>  <InChI Key>
BLWSTOKILHXFGZ-MUUNZHRXSA-N

