
 CHEMBL1210313

 75 78  0  0  0  0  0  0  0  0999 V2000
    2.8810    3.2301    2.9263 C   0  0  0  0  0
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    3.2869    1.1445    3.0621 H   0  0  0  0  0
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    0.5019    4.4886   -0.9092 H   0  0  0  0  0
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    5.9873    0.8035   -2.3835 H   0  0  0  0  0
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    6.0099    0.3240   -7.0680 H   0  0  0  0  0
    3.8249   -0.7060   -7.6245 H   0  0  0  0  0
    2.2767   -1.3728   -5.8521 H   0  0  0  0  0
    0.9337   -2.0093   -2.4815 H   0  0  0  0  0
    1.7185   -2.8387   -3.8451 H   0  0  0  0  0
    0.8733   -1.2661   -4.0778 H   0  0  0  0  0
    6.2140    1.8364   -0.7972 H   0  0  0  0  0
    5.4337    4.1725   -1.7186 H   0  0  0  0  0
    7.0488    3.5272   -1.8812 H   0  0  0  0  0
    7.2999    5.7929   -1.2542 H   0  0  0  0  0
    6.1293    5.6718    0.0554 H   0  0  0  0  0
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    8.4703    5.6576    0.9089 H   0  0  0  0  0
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    6.6939    4.4078    2.1333 H   0  0  0  0  0
    7.7652    1.9347    0.7459 H   0  0  0  0  0
    6.4010    2.0257    1.8416 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1210313

>  <PubChem CID>
44156964

>  <Formula>
C28H41N3O3

>  <Molecular Weight>
467.654000

>  <IUPAC Name>
N-(3-methyl-1-morpholin-4-ylpentan-3-yl)-N-[(1-methyl-2-oxoquinolin-3-yl)methyl]cyclohexanecarboxamide

>  <XlogP>
4.1

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCC(C)(CCN1CCOCC1)N(CC2=CC3=CC=CC=C3N(C2=O)C)C(=O)C4CCCCC4

>  <Isomeric SMILES>
CCC(C)(CCN1CCOCC1)N(CC2=CC3=CC=CC=C3N(C2=O)C)C(=O)C4CCCCC4

>  <InChI Std. ID>
InChI=1S/C28H41N3O3/c1-4-28(2,14-15-30-16-18-34-19-17-30)31(27(33)22-10-6-5-7-11-22)21-24-20-23-12-8-9-13-25(23)29(3)26(24)32/h8-9,12-13,20,22H,4-7,10-11,14-19,21H2,1-3H3

>  <InChI Key>
FWHNGUFKFXDMER-UHFFFAOYSA-N

