
 CHEMBL1290384

 56 61  0  0  0  0  0  0  0  0999 V2000
   -0.6690    1.4149    0.3393 C   0  0  0  0  0
    0.3826    1.4377    1.4393 C   0  0  0  0  0
    1.7055    1.4040    0.6967 C   0  0  0  0  0
    1.3912    0.5557   -0.4565 N   0  0  0  0  0
    0.0838    1.0274   -0.9293 C   0  0  0  0  0
    2.4099    0.6150   -1.5197 C   0  0  0  0  0
    3.7640    0.0485   -1.0786 C   0  0  0  0  0
    4.7411    0.0562   -2.1538 N   0  0  0  0  0
    5.3230   -1.0307   -2.7639 C   0  0  0  0  0
    6.2676   -0.5009   -3.6342 C   0  0  0  0  0
    7.0721   -1.3699   -4.4017 C   0  0  0  0  0
    6.9185   -2.7701   -4.3061 C   0  0  0  0  0
    5.9367   -3.2514   -3.4236 C   0  0  0  0  0
    5.1336   -2.4081   -2.6363 C   0  0  0  0  0
    7.7325   -3.6658   -5.1162 N   0  0  0  0  0
    8.3101   -3.2122   -6.3242 C   0  0  0  0  0
    9.0675   -3.9668   -7.1365 C   0  0  0  0  0
    9.2690   -5.3012   -6.7445 C   0  0  0  0  0
    8.7461   -5.8357   -5.5883 C   0  0  0  0  0
    7.9588   -5.0182   -4.6761 C   0  0  0  0  0
    7.5800   -5.5100   -3.6191 O   0  0  0  0  0
    9.1327   -7.1972   -5.5491 C   0  0  0  0  0
    9.8905   -7.4251   -6.6820 C   0  0  0  0  0
    9.9647   -6.2648   -7.4122 O   0  0  0  0  0
   10.5823   -8.5792   -7.2619 C   0  0  0  0  0
   10.6813   -8.6688   -8.6657 C   0  0  0  0  0
   11.3133   -9.7489   -9.2887 C   0  0  0  0  0
   11.8611  -10.7687   -8.5206 C   0  0  0  0  0
   11.7820  -10.7023   -7.1311 C   0  0  0  0  0
   11.1523   -9.6172   -6.5019 C   0  0  0  0  0
   11.1718   -9.6289   -4.7707 Cl  0  0  0  0  0
    6.1512    0.8971   -3.4803 C   0  0  0  0  0
    5.2229    1.2428   -2.5867 N   0  0  0  0  0
   -1.4591    0.6955    0.5793 H   0  0  0  0  0
   -1.1332    2.4006    0.2243 H   0  0  0  0  0
    0.2767    0.5460    2.0698 H   0  0  0  0  0
    0.2901    2.3174    2.0832 H   0  0  0  0  0
    1.9953    2.4170    0.3904 H   0  0  0  0  0
    2.4955    0.9821    1.3251 H   0  0  0  0  0
    0.1774    1.9091   -1.5764 H   0  0  0  0  0
   -0.4458    0.2479   -1.4864 H   0  0  0  0  0
    2.5321    1.6458   -1.8787 H   0  0  0  0  0
    2.0547    0.0267   -2.3764 H   0  0  0  0  0
    3.6524   -0.9791   -0.7183 H   0  0  0  0  0
    4.2015    0.6388   -0.2654 H   0  0  0  0  0
    7.8343   -0.9164   -5.0237 H   0  0  0  0  0
    5.7332   -4.3163   -3.3324 H   0  0  0  0  0
    4.3928   -2.8300   -1.9643 H   0  0  0  0  0
    8.0938   -2.1962   -6.6341 H   0  0  0  0  0
    9.4864   -3.5955   -8.0633 H   0  0  0  0  0
    8.8725   -7.9143   -4.7825 H   0  0  0  0  0
   10.2548   -7.8873   -9.2932 H   0  0  0  0  0
   11.3741   -9.7894  -10.3735 H   0  0  0  0  0
   12.3540  -11.6109   -8.9995 H   0  0  0  0  0
   12.2218  -11.4998   -6.5361 H   0  0  0  0  0
    6.7088    1.6765   -3.9826 H   0  0  0  0  0
  1  5  1  0  0  0
  1  2  1  0  0  0
  1 34  1  0  0  0
  1 35  1  0  0  0
  2  3  1  0  0  0
  2 36  1  0  0  0
  2 37  1  0  0  0
  3  4  1  0  0  0
  3 38  1  0  0  0
  3 39  1  0  0  0
  4  5  1  0  0  0
  4  6  1  0  0  0
  5 40  1  0  0  0
  5 41  1  0  0  0
  6  7  1  0  0  0
  6 42  1  0  0  0
  6 43  1  0  0  0
  7  8  1  0  0  0
  7 44  1  0  0  0
  7 45  1  0  0  0
  8  9  1  0  0  0
  8 33  1  0  0  0
  9 14  1  0  0  0
  9 10  2  0  0  0
 10 32  1  0  0  0
 10 11  1  0  0  0
 11 12  2  0  0  0
 11 46  1  0  0  0
 12 13  1  0  0  0
 12 15  1  0  0  0
 13 14  2  0  0  0
 13 47  1  0  0  0
 14 48  1  0  0  0
 15 16  1  0  0  0
 15 20  1  0  0  0
 16 17  2  0  0  0
 16 49  1  0  0  0
 17 18  1  0  0  0
 17 50  1  0  0  0
 18 24  1  0  0  0
 18 19  2  0  0  0
 19 22  1  0  0  0
 19 20  1  0  0  0
 20 21  2  0  0  0
 22 23  2  0  0  0
 22 51  1  0  0  0
 23 24  1  0  0  0
 23 25  1  0  0  0
 25 26  2  0  0  0
 25 30  1  0  0  0
 26 27  1  0  0  0
 26 52  1  0  0  0
 27 28  2  0  0  0
 27 53  1  0  0  0
 28 29  1  0  0  0
 28 54  1  0  0  0
 29 30  2  0  0  0
 29 55  1  0  0  0
 30 31  1  0  0  0
 32 33  2  0  0  0
 32 56  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1290384

>  <PubChem CID>
25017300

>  <Formula>
C26H23ClN4O2

>  <Molecular Weight>
458.946000

>  <IUPAC Name>
2-(2-chlorophenyl)-5-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]furo[3,2-c]pyridin-4-one

>  <XlogP>
4.6

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CCN(C1)CCN2C3=C(C=C(C=C3)N4C=CC5=C(C4=O)C=C(O5)C6=CC=CC=C6Cl)C=N2

>  <Isomeric SMILES>
C1CCN(C1)CCN2C3=C(C=C(C=C3)N4C=CC5=C(C4=O)C=C(O5)C6=CC=CC=C6Cl)C=N2

>  <InChI Std. ID>
InChI=1S/C26H23ClN4O2/c27-22-6-2-1-5-20(22)25-16-21-24(33-25)9-12-30(26(21)32)19-7-8-23-18(15-19)17-28-31(23)14-13-29-10-3-4-11-29/h1-2,5-9,12,15-17H,3-4,10-11,13-14H2

>  <InChI Key>
AKYWQWBYERSPLR-UHFFFAOYSA-N

