
 SMR000627669

 79 82  0  0  0  0  0  0  0  0999 V2000
    8.9747    2.9147    6.6100 C   0  0  0  0  0
    7.9669    1.9374    6.0187 C   0  0  0  0  0
    7.6056    2.2342    4.5567 C   0  0  0  0  0
    6.9850    3.6264    4.3887 C   0  0  0  0  0
    6.4833    3.9304    3.0304 N   0  0  0  0  0
    5.6307    5.1389    3.0774 C   0  0  0  0  0
    6.3337    6.4416    3.4965 C   0  0  0  0  0
    5.3537    7.6132    3.5592 C   0  0  0  0  0
    6.0409    8.8759    4.0555 C   0  0  0  0  0
    7.5934    4.0193    2.0608 C   0  0  0  0  0
    7.1715    4.3775    0.6264 C   0  0  0  0  0
    8.3707    4.4157   -0.3184 C   0  0  0  0  0
    9.2818    5.5013   -0.0052 N   0  0  0  0  0
   10.6016    5.4856   -0.4069 C   0  0  0  0  0
   11.1130    4.5341   -0.9907 O   0  0  0  0  0
   11.3787    6.7419   -0.0968 C   0  0  0  0  0
   11.9055    6.7207    1.2514 N   0  0  0  0  0
   13.0717    6.1305    1.6684 C   0  0  0  0  0
   13.1985    6.4316    3.0064 C   0  0  0  0  0
   14.2325    6.0181    4.0180 C   0  0  0  0  0
   14.1560    6.7649    5.3821 C   0  0  0  0  0
   12.8457    7.4396    5.5739 C   0  0  0  0  0
   11.8813    7.7041    4.6387 C   0  0  0  0  0
   12.0539    7.2228    3.2852 C   0  0  0  0  0
   11.2620    7.3998    2.2296 N   0  0  0  0  0
   10.8737    8.4612    5.2716 C   0  0  0  0  0
   11.2558    8.5383    6.6185 C   0  0  0  0  0
   12.4857    7.9326    6.7798 O   0  0  0  0  0
   10.5620    9.1357    7.7604 C   0  0  0  0  0
    9.4383    9.6349    7.6376 O   0  0  0  0  0
   11.1660    9.1527    9.0133 N   0  0  0  0  0
   12.4479    8.5901    9.4109 C   0  0  0  0  0
   12.5080    8.7860   10.9217 C   0  0  0  0  0
   11.6303   10.0078   11.1493 C   0  0  0  0  0
   10.5170    9.8106   10.1336 C   0  0  0  0  0
    9.6613    9.0286    4.6331 C   0  0  0  0  0
    9.2761    2.5876    7.6099 H   0  0  0  0  0
    8.5499    3.9182    6.7124 H   0  0  0  0  0
    9.8722    2.9810    5.9872 H   0  0  0  0  0
    7.0586    1.9434    6.6326 H   0  0  0  0  0
    8.3828    0.9249    6.0770 H   0  0  0  0  0
    6.8984    1.4713    4.2089 H   0  0  0  0  0
    8.5115    2.1368    3.9486 H   0  0  0  0  0
    7.7224    4.3799    4.6852 H   0  0  0  0  0
    6.1495    3.6935    5.0976 H   0  0  0  0  0
    4.8001    4.9447    3.7697 H   0  0  0  0  0
    5.1370    5.2794    2.1087 H   0  0  0  0  0
    7.1392    6.6847    2.7942 H   0  0  0  0  0
    6.7904    6.3249    4.4855 H   0  0  0  0  0
    4.5250    7.3700    4.2340 H   0  0  0  0  0
    4.9267    7.7968    2.5670 H   0  0  0  0  0
    6.4646    8.7234    5.0540 H   0  0  0  0  0
    5.3265    9.7020    4.1144 H   0  0  0  0  0
    6.8488    9.1724    3.3790 H   0  0  0  0  0
    8.0866    3.0417    2.0038 H   0  0  0  0  0
    8.3487    4.7320    2.4130 H   0  0  0  0  0
    6.6776    5.3543    0.5931 H   0  0  0  0  0
    6.4535    3.6330    0.2611 H   0  0  0  0  0
    8.0247    4.5835   -1.3446 H   0  0  0  0  0
    8.9120    3.4637   -0.3054 H   0  0  0  0  0
    8.9170    6.3338    0.4466 H   0  0  0  0  0
   10.7453    7.6275   -0.2151 H   0  0  0  0  0
   12.2194    6.8342   -0.7920 H   0  0  0  0  0
   13.6836    5.5479    0.9929 H   0  0  0  0  0
   15.2367    6.1480    3.5966 H   0  0  0  0  0
   14.1102    4.9430    4.2027 H   0  0  0  0  0
   14.9439    7.5276    5.4147 H   0  0  0  0  0
   14.3567    6.0633    6.1992 H   0  0  0  0  0
   13.2424    9.1502    8.9071 H   0  0  0  0  0
   12.5086    7.5305    9.1476 H   0  0  0  0  0
   12.0718    7.9175   11.4300 H   0  0  0  0  0
   13.5299    8.9175   11.2876 H   0  0  0  0  0
   11.2592   10.0852   12.1746 H   0  0  0  0  0
   12.1953   10.9185   10.9159 H   0  0  0  0  0
    9.7442    9.1340   10.5159 H   0  0  0  0  0
   10.0490   10.7526    9.8326 H   0  0  0  0  0
    8.8797    8.2669    4.5793 H   0  0  0  0  0
    9.8778    9.3754    3.6173 H   0  0  0  0  0
    9.2748    9.8935    5.1784 H   0  0  0  0  0
  1  2  1  0  0  0
  1 37  1  0  0  0
  1 38  1  0  0  0
  1 39  1  0  0  0
  2  3  1  0  0  0
  2 40  1  0  0  0
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  4  5  1  0  0  0
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  5  6  1  0  0  0
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  6 47  1  0  0  0
  7  8  1  0  0  0
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  9 54  1  0  0  0
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M  END

>  <Chemical Name>
SMR000627669

>  <PubChem CID>
16018766

>  <Formula>
C28H43N5O3

>  <Molecular Weight>
497.684000

>  <IUPAC Name>
N-[3-(dibutylamino)propyl]-2-[8-methyl-7-(pyrrolidine-1-carbonyl)-4,5-dihydrofuro[2,3-g]indazol-2-yl]acetamide

>  <XlogP>
4.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CCCCN(CCCC)CCCNC(=O)CN1C=C2CCC3=C(C2=N1)C(=C(O3)C(=O)N4CCCC4)C

>  <Isomeric SMILES>
CCCCN(CCCC)CCCNC(=O)CN1C=C2CCC3=C(C2=N1)C(=C(O3)C(=O)N4CCCC4)C

>  <InChI Std. ID>
InChI=1S/C28H43N5O3/c1-4-6-14-31(15-7-5-2)16-10-13-29-24(34)20-33-19-22-11-12-23-25(26(22)30-33)21(3)27(36-23)28(35)32-17-8-9-18-32/h19H,4-18,20H2,1-3H3,(H,29,34)

>  <InChI Key>
AOFHVFPGYSNPSW-UHFFFAOYSA-N

