
 CHEMBL179501

 64 68  0  0  0  0  0  0  0  0999 V2000
    4.1660    1.1844    3.3799 C   0  0  0  0  0
    3.3817   -0.0519    2.9602 C   0  0  0  0  0
    3.8366   -0.3299    1.5388 C   0  0  0  0  0
    4.0851    1.0171    1.0240 N   0  0  0  0  0
    4.8043    1.7100    2.0991 C   0  0  0  0  0
    4.8336    1.0457   -0.2428 C   0  0  0  0  0
    4.0265    0.4896   -1.4204 C   0  0  0  0  0
    4.7869    0.5054   -2.6592 N   0  0  0  0  0
    5.3280   -0.5732   -3.3228 C   0  0  0  0  0
    5.8711   -0.0432   -4.4890 C   0  0  0  0  0
    6.4849   -0.9016   -5.4140 C   0  0  0  0  0
    6.5487   -2.2752   -5.1337 C   0  0  0  0  0
    6.0149   -2.8004   -3.9559 C   0  0  0  0  0
    5.3876   -1.9472   -3.0296 C   0  0  0  0  0
    6.0386   -4.1756   -3.6353 N   0  0  0  0  0
    6.5838   -5.2095   -4.3840 C   0  0  0  0  0
    7.2497   -5.0972   -5.4094 O   0  0  0  0  0
    6.2610   -6.5835   -3.8125 C   0  0  0  0  0
    4.8237   -7.0369   -3.9697 C   0  0  0  0  0
    4.4316   -8.2535   -3.3922 C   0  0  0  0  0
    3.1190   -8.7207   -3.5278 C   0  0  0  0  0
    2.1768   -7.9889   -4.2505 C   0  0  0  0  0
    2.5547   -6.7725   -4.8165 C   0  0  0  0  0
    3.8670   -6.3092   -4.6896 C   0  0  0  0  0
    0.9287   -8.5462   -4.3296 O   0  0  0  0  0
    0.0944   -8.0386   -5.3750 C   0  0  0  0  0
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   -1.9218   -9.1019   -4.2639 C   0  0  0  0  0
   -3.1763   -9.7126   -4.3348 C   0  0  0  0  0
   -3.7407  -10.0053   -5.5756 C   0  0  0  0  0
   -3.0535   -9.6916   -6.7443 C   0  0  0  0  0
   -1.7983   -9.0810   -6.6760 C   0  0  0  0  0
    5.6227    1.3421   -4.4068 C   0  0  0  0  0
    4.9694    1.6826   -3.2946 N   0  0  0  0  0
    3.4964    1.9251    3.8302 H   0  0  0  0  0
    4.9341    0.9304    4.1189 H   0  0  0  0  0
    2.3071    0.1697    2.9807 H   0  0  0  0  0
    3.5618   -0.9011    3.6258 H   0  0  0  0  0
    4.7498   -0.9376    1.5443 H   0  0  0  0  0
    3.0615   -0.8588    0.9771 H   0  0  0  0  0
    5.8731    1.4615    2.0973 H   0  0  0  0  0
    4.7028    2.7968    2.0181 H   0  0  0  0  0
    5.7821    0.5014   -0.1466 H   0  0  0  0  0
    5.0955    2.0878   -0.4693 H   0  0  0  0  0
    3.1204    1.0835   -1.5917 H   0  0  0  0  0
    3.7120   -0.5420   -1.2390 H   0  0  0  0  0
    6.9054   -0.5161   -6.3395 H   0  0  0  0  0
    7.0225   -2.9081   -5.8769 H   0  0  0  0  0
    4.9577   -2.3342   -2.1123 H   0  0  0  0  0
    5.5496   -4.4444   -2.7896 H   0  0  0  0  0
    6.5287   -6.5792   -2.7479 H   0  0  0  0  0
    6.9153   -7.3107   -4.3097 H   0  0  0  0  0
    5.1497   -8.8588   -2.8408 H   0  0  0  0  0
    2.8365   -9.6715   -3.0827 H   0  0  0  0  0
    1.8572   -6.1534   -5.3691 H   0  0  0  0  0
    4.1162   -5.3683   -5.1779 H   0  0  0  0  0
    0.6163   -8.1442   -6.3340 H   0  0  0  0  0
   -0.1471   -6.9841   -5.1951 H   0  0  0  0  0
   -1.4983   -8.8668   -3.2894 H   0  0  0  0  0
   -3.7140   -9.9523   -3.4226 H   0  0  0  0  0
   -4.7197  -10.4743   -5.6291 H   0  0  0  0  0
   -3.4954   -9.9153   -7.7123 H   0  0  0  0  0
   -1.2844   -8.8308   -7.5985 H   0  0  0  0  0
    5.8916    2.1152   -5.1147 H   0  0  0  0  0
  1  5  1  0  0  0
  1  2  1  0  0  0
  1 35  1  0  0  0
  1 36  1  0  0  0
  2  3  1  0  0  0
  2 37  1  0  0  0
  2 38  1  0  0  0
  3  4  1  0  0  0
  3 39  1  0  0  0
  3 40  1  0  0  0
  4  5  1  0  0  0
  4  6  1  0  0  0
  5 41  1  0  0  0
  5 42  1  0  0  0
  6  7  1  0  0  0
  6 43  1  0  0  0
  6 44  1  0  0  0
  7  8  1  0  0  0
  7 45  1  0  0  0
  7 46  1  0  0  0
  8  9  1  0  0  0
  8 34  1  0  0  0
  9 14  1  0  0  0
  9 10  2  0  0  0
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 26 27  1  0  0  0
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 27 28  2  0  0  0
 27 32  1  0  0  0
 28 29  1  0  0  0
 28 59  1  0  0  0
 29 30  2  0  0  0
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 33 34  2  0  0  0
 33 64  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL179501

>  <PubChem CID>
11775399

>  <Formula>
C28H30N4O2

>  <Molecular Weight>
454.574000

>  <IUPAC Name>
2-(4-phenylmethoxyphenyl)-N-[1-(2-pyrrolidin-1-ylethyl)indazol-6-yl]acetamide

>  <XlogP>
4.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CCN(C1)CCN2C3=C(C=CC(=C3)NC(=O)CC4=CC=C(C=C4)OCC5=CC=CC=C5)C=N2

>  <Isomeric SMILES>
C1CCN(C1)CCN2C3=C(C=CC(=C3)NC(=O)CC4=CC=C(C=C4)OCC5=CC=CC=C5)C=N2

>  <InChI Std. ID>
InChI=1S/C28H30N4O2/c33-28(18-22-8-12-26(13-9-22)34-21-23-6-2-1-3-7-23)30-25-11-10-24-20-29-32(27(24)19-25)17-16-31-14-4-5-15-31/h1-3,6-13,19-20H,4-5,14-18,21H2,(H,30,33)

>  <InChI Key>
OMZPZOSWJGZBRV-UHFFFAOYSA-N

