
 CHEMBL246107

 74 77  0  0  0  0  0  0  0  0999 V2000
    0.8585   -0.2883   -0.4410 C   0  0  0  0  0
    2.3508   -0.0318   -0.2576 C   0  0  0  0  0
    2.6768    1.4535    0.0101 C   0  0  0  0  0
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    1.4879    2.2702    3.4634 C   0  0  0  0  0
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    1.3657    3.0131    1.3415 O   0  0  0  0  0
    1.2621    2.1480    4.9307 C   0  0  0  0  0
    2.3102    2.9059    5.7469 C   0  0  0  0  0
    2.0874    2.6965    7.2469 C   0  0  0  0  0
    3.1749    3.3938    8.0744 C   0  0  0  0  0
    2.9616    3.2580    9.5244 N   0  0  0  0  0
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   10.0052    2.6530   -3.6715 C   0  0  0  0  0
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   13.3487    1.5936   -0.9623 N   0  0  0  0  0
   14.3344    0.9462   -0.1081 C   0  0  0  0  0
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    0.6847   -1.3423   -0.6805 H   0  0  0  0  0
    0.4567    0.3140   -1.2623 H   0  0  0  0  0
    0.2932   -0.0552    0.4663 H   0  0  0  0  0
    2.8613   -0.3670   -1.1691 H   0  0  0  0  0
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    2.1653    2.0600   -0.7488 H   0  0  0  0  0
    2.8248    0.5390    2.9352 H   0  0  0  0  0
    0.3268    4.0862    2.7670 H   0  0  0  0  0
    1.2758    1.0856    5.2055 H   0  0  0  0  0
    0.2602    2.5205    5.1789 H   0  0  0  0  0
    2.2677    3.9764    5.5099 H   0  0  0  0  0
    3.3151    2.5603    5.4728 H   0  0  0  0  0
    2.0846    1.6197    7.4453 H   0  0  0  0  0
    1.1005    3.0837    7.5293 H   0  0  0  0  0
    3.1458    4.4606    7.8159 H   0  0  0  0  0
    4.1608    3.0256    7.7694 H   0  0  0  0  0
    2.4850    1.1706    9.4788 H   0  0  0  0  0
    2.7486    1.8591   11.0580 H   0  0  0  0  0
    4.6218    0.3845   10.4952 H   0  0  0  0  0
    4.9816    1.2826    9.0199 H   0  0  0  0  0
    5.9574    4.2118   10.9711 H   0  0  0  0  0
    5.8114    3.6271    9.3123 H   0  0  0  0  0
    3.5390    4.1653   11.3179 H   0  0  0  0  0
    3.8821    5.1436    9.9048 H   0  0  0  0  0
    4.6337    1.6364    0.7625 H   0  0  0  0  0
    7.3345    2.0342   -0.2117 H   0  0  0  0  0
    7.9597    3.2395   -3.6899 H   0  0  0  0  0
   10.1521    2.9597   -4.7050 H   0  0  0  0  0
   12.0130    1.9536   -3.4492 H   0  0  0  0  0
   10.0992    0.9443    0.5574 H   0  0  0  0  0
   14.0045   -0.0489    0.2033 H   0  0  0  0  0
   14.4794    1.5664    0.7822 H   0  0  0  0  0
   15.2813    0.8493   -0.6472 H   0  0  0  0  0
   13.0558    3.3786   -2.1023 H   0  0  0  0  0
   14.4904    2.3890   -2.5066 H   0  0  0  0  0
   14.4403    3.3697   -1.0204 H   0  0  0  0  0
  1  2  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL246107

>  <PubChem CID>
10481927

>  <Formula>
C28H36N4O6

>  <Molecular Weight>
524.618000

>  <IUPAC Name>
2-hydroxy-N,N-dimethyl-3-[[2-[[(1R)-1-[4-(4-morpholin-4-ylbutyl)furan-2-yl]propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]benzamide

>  <XlogP>
3.3

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
CCC(C1=CC(=CO1)CCCCN2CCOCC2)NC3=C(C(=O)C3=O)NC4=CC=CC(=C4O)C(=O)N(C)C

>  <Isomeric SMILES>
CC[C@H](C1=CC(=CO1)CCCCN2CCOCC2)NC3=C(C(=O)C3=O)NC4=CC=CC(=C4O)C(=O)N(C)C

>  <InChI Std. ID>
InChI=1S/C28H36N4O6/c1-4-20(22-16-18(17-38-22)8-5-6-11-32-12-14-37-15-13-32)29-23-24(27(35)26(23)34)30-21-10-7-9-19(25(21)33)28(36)31(2)3/h7,9-10,16-17,20,29-30,33H,4-6,8,11-15H2,1-3H3/t20-/m1/s1

>  <InChI Key>
GOXKLDRNSZHYPN-HXUWFJFHSA-N

