
 CHEMBL397264

 81 85  0  0  0  0  0  0  0  0999 V2000
    1.5787    0.8935   12.5902 C   0  0  0  0  0
    0.6967    1.7506   13.4788 C   0  0  0  0  0
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    0.9747    3.0222   10.1582 C   0  0  0  0  0
    1.6234    3.9967   10.5147 O   0  0  0  0  0
    0.9700    2.5787    8.8501 N   0  0  0  0  0
    1.6779    3.2209    7.7238 C   0  0  0  0  0
    3.1788    3.4586    7.9821 C   0  0  0  0  0
    4.0128    4.1365    6.9100 C   0  0  0  0  0
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    6.2430    4.5601    6.0096 C   0  0  0  0  0
    5.4030    3.9246    6.9264 C   0  0  0  0  0
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    1.5620    1.0062    6.7401 O   0  0  0  0  0
    1.0748    2.7665    5.3624 N   0  0  0  0  0
    0.8092    1.9484    4.1927 C   0  0  0  0  0
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    2.5296    1.3998   12.3910 H   0  0  0  0  0
    1.7973   -0.0782   13.0438 H   0  0  0  0  0
    1.2692    2.2436   14.2705 H   0  0  0  0  0
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    0.0395   -0.0439   11.4285 H   0  0  0  0  0
    1.4217    0.4638   10.4732 H   0  0  0  0  0
    0.5768    1.6565    8.6657 H   0  0  0  0  0
    1.1529    4.1607    7.5235 H   0  0  0  0  0
    3.6407    2.4906    8.2204 H   0  0  0  0  0
    3.3030    4.0845    8.8725 H   0  0  0  0  0
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    3.9206    6.3519    4.3104 H   0  0  0  0  0
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    7.3160    4.3890    6.0476 H   0  0  0  0  0
    5.8471    3.2701    7.6749 H   0  0  0  0  0
    0.9698    3.7674    5.2707 H   0  0  0  0  0
    1.2466    0.9519    4.3140 H   0  0  0  0  0
    1.3228    2.4356    3.3568 H   0  0  0  0  0
   -0.7974    1.3676    2.8970 H   0  0  0  0  0
   -1.0911    2.8624    3.7882 H   0  0  0  0  0
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   -0.9882    0.0522    4.9940 H   0  0  0  0  0
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   -5.6891    2.8359    4.4878 H   0  0  0  0  0
   -5.2908    1.5850    3.3032 H   0  0  0  0  0
   -5.4587   -1.0054    5.8437 H   0  0  0  0  0
   -5.1378   -0.7362    4.1250 H   0  0  0  0  0
   -3.4227    0.2075    6.5037 H   0  0  0  0  0
   -3.0151   -1.0954    5.3688 H   0  0  0  0  0
   -1.3629    2.6117    9.6529 H   0  0  0  0  0
   -3.4368    3.6066    9.9972 H   0  0  0  0  0
   -5.1025    4.9457    8.7369 H   0  0  0  0  0
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  4  6  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL397264

>  <PubChem CID>
23625785

>  <Formula>
C33H40N4O4

>  <Molecular Weight>
556.707000

>  <IUPAC Name>
N-[1-[[(2R)-1-(3-morpholin-4-ylpropylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]naphthalene-2-carboxamide

>  <XlogP>
4.2

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CCC(C1)(C(=O)NC(CC2=CC=CC=C2)C(=O)NCCCN3CCOCC3)NC(=O)C4=CC5=CC=CC=C5C=C4

>  <Isomeric SMILES>
C1CCC(C1)(C(=O)N[C@H](CC2=CC=CC=C2)C(=O)NCCCN3CCOCC3)NC(=O)C4=CC5=CC=CC=C5C=C4

>  <InChI Std. ID>
InChI=1S/C33H40N4O4/c38-30(28-14-13-26-11-4-5-12-27(26)24-28)36-33(15-6-7-16-33)32(40)35-29(23-25-9-2-1-3-10-25)31(39)34-17-8-18-37-19-21-41-22-20-37/h1-5,9-14,24,29H,6-8,15-23H2,(H,34,39)(H,35,40)(H,36,38)/t29-/m1/s1

>  <InChI Key>
FKLLTKQRAVLCLW-GDLZYMKVSA-N

