
 CHEMBL1834752

 71 76  0  0  0  0  0  0  0  0999 V2000
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    0.2629    2.0398    3.3845 C   0  0  0  0  0
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    6.6502   13.5272    2.4093 C   0  0  0  0  0
    6.7773   14.6147    1.4241 N   0  0  0  0  0
    6.4708   15.9244    2.0192 C   0  0  0  0  0
    7.5598   16.4574    2.9552 C   0  0  0  0  0
    8.9217   16.4773    2.2691 C   0  0  0  0  0
    9.2353   15.1251    1.6379 C   0  0  0  0  0
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   -0.0719   -3.0468    1.7837 H   0  0  0  0  0
    4.7830    3.9296   -1.2969 H   0  0  0  0  0
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    5.6543    7.4019    1.3807 H   0  0  0  0  0
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    9.6399    7.0207    1.8698 H   0  0  0  0  0
    7.9378    7.1123    2.3127 H   0  0  0  0  0
    9.8524    9.4086    1.6959 H   0  0  0  0  0
    9.0014    9.0734    3.2109 H   0  0  0  0  0
    5.2185   10.2027   -0.5567 H   0  0  0  0  0
    5.0653   12.4425    0.4564 H   0  0  0  0  0
    8.4155   11.5269    2.9958 H   0  0  0  0  0
    7.3913   13.6225    3.2115 H   0  0  0  0  0
    5.6683   13.5908    2.8979 H   0  0  0  0  0
    5.5121   15.8864    2.5513 H   0  0  0  0  0
    6.3211   16.6455    1.2046 H   0  0  0  0  0
    7.3000   17.4714    3.2798 H   0  0  0  0  0
    7.6135   15.8424    3.8611 H   0  0  0  0  0
    8.9241   17.2501    1.4904 H   0  0  0  0  0
    9.7023   16.7465    2.9891 H   0  0  0  0  0
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    8.3332   13.6761    0.3121 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1834752

>  <PubChem CID>
54772237

>  <Formula>
C31H32FN5O2

>  <Molecular Weight>
525.628000

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

>  <XlogP>
4.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=NN(C(=O)C2=C1C=CC=C2F)C3=NC=C(C=C3)C(=O)NC4CCCC5=C4C=CC(=C5)CN6CCCCC6

>  <Isomeric SMILES>
CC1=NN(C(=O)C2=C1C=CC=C2F)C3=NC=C(C=C3)C(=O)N[C@@H]4CCCC5=C4C=CC(=C5)CN6CCCCC6

>  <InChI Std. ID>
InChI=1S/C31H32FN5O2/c1-20-24-8-6-9-26(32)29(24)31(39)37(35-20)28-14-12-23(18-33-28)30(38)34-27-10-5-7-22-17-21(11-13-25(22)27)19-36-15-3-2-4-16-36/h6,8-9,11-14,17-18,27H,2-5,7,10,15-16,19H2,1H3,(H,34,38)/t27-/m1/s1

>  <InChI Key>
XRQFCDBUTIVNTI-HHHXNRCGSA-N

