
 CHEMBL1080281

 52 56  0  0  0  0  0  0  0  0999 V2000
    1.4991    1.6967    0.8456 C   0  0  0  0  0
    2.8425    1.6605    1.4822 C   0  0  0  0  0
    3.9105    0.9040    1.0609 C   0  0  0  0  0
    4.9322    1.0339    1.9755 N   0  0  0  0  0
    4.6431    2.0689    2.8608 C   0  0  0  0  0
    5.3895    2.7447    3.8688 C   0  0  0  0  0
    4.6997    3.6504    4.6950 C   0  0  0  0  0
    3.3573    3.9201    4.4933 C   0  0  0  0  0
    2.6458    3.3242    3.4620 C   0  0  0  0  0
    3.2894    2.3902    2.6261 C   0  0  0  0  0
    2.7432    4.8157    5.2779 F   0  0  0  0  0
    6.8399    2.6428    3.9414 C   0  0  0  0  0
    7.7123    2.3996    2.9823 N   0  0  0  0  0
    8.9593    2.6173    3.5186 N   0  0  0  0  0
    8.7729    2.9526    4.7742 C   0  0  0  0  0
    7.4540    2.9849    5.1256 O   0  0  0  0  0
    9.8710    3.3684    5.5610 N   0  0  0  0  0
    9.9481    2.5552    7.0230 S   0  0  0  0  0
    8.7993    2.8674    7.8404 O   0  0  0  0  0
   10.3533    1.1966    6.7376 O   0  0  0  0  0
   11.3494    3.3787    7.7601 C   0  0  0  0  0
   12.5702    2.7079    7.8879 C   0  0  0  0  0
   13.6550    3.3864    8.4354 C   0  0  0  0  0
   13.5282    4.7075    8.8544 C   0  0  0  0  0
   12.3087    5.3706    8.7410 C   0  0  0  0  0
   11.2088    4.7044    8.1946 C   0  0  0  0  0
   14.5823    5.3564    9.3670 F   0  0  0  0  0
   14.8325    2.7567    8.5465 F   0  0  0  0  0
    6.0606    0.0970    2.0389 C   0  0  0  0  0
    5.6225   -1.3479    1.8741 C   0  0  0  0  0
    4.8200   -2.0038    2.8268 C   0  0  0  0  0
    4.3527   -3.3002    2.5973 C   0  0  0  0  0
    4.7040   -3.9632    1.4260 C   0  0  0  0  0
    5.5312   -3.3505    0.4886 C   0  0  0  0  0
    5.9889   -2.0492    0.7101 C   0  0  0  0  0
    4.1095   -5.5507    1.1326 Cl  0  0  0  0  0
    4.3754   -1.2551    4.3199 Cl  0  0  0  0  0
    1.1736    0.6856    0.5777 H   0  0  0  0  0
    1.5266    2.3017   -0.0660 H   0  0  0  0  0
    0.7447    2.1190    1.5160 H   0  0  0  0  0
    3.9847    0.2089    0.2337 H   0  0  0  0  0
    5.2171    4.1947    5.4812 H   0  0  0  0  0
    1.6054    3.5909    3.3068 H   0  0  0  0  0
   10.7107    3.2295    5.0042 H   0  0  0  0  0
   12.6965    1.6765    7.5709 H   0  0  0  0  0
   12.2258    6.4003    9.0770 H   0  0  0  0  0
   10.2531    5.2189    8.1076 H   0  0  0  0  0
    6.5625    0.1890    3.0033 H   0  0  0  0  0
    6.7553    0.4022    1.2479 H   0  0  0  0  0
    3.7121   -3.7872    3.3278 H   0  0  0  0  0
    5.8129   -3.8754   -0.4213 H   0  0  0  0  0
    6.6194   -1.5798   -0.0437 H   0  0  0  0  0
  1  2  1  0  0  0
  1 38  1  0  0  0
  1 39  1  0  0  0
  1 40  1  0  0  0
  2  3  2  0  0  0
  2 10  1  0  0  0
  3  4  1  0  0  0
  3 41  1  0  0  0
  4  5  1  0  0  0
  4 29  1  0  0  0
  5  6  2  0  0  0
  5 10  1  0  0  0
  6  7  1  0  0  0
  6 12  1  0  0  0
  7  8  2  0  0  0
  7 42  1  0  0  0
  8  9  1  0  0  0
  8 11  1  0  0  0
  9 10  2  0  0  0
  9 43  1  0  0  0
 12 16  1  0  0  0
 12 13  2  0  0  0
 13 14  1  0  0  0
 14 15  2  0  0  0
 15 16  1  0  0  0
 15 17  1  0  0  0
 17 18  1  0  0  0
 17 44  1  0  0  0
 18 21  1  0  0  0
 18 20  2  0  0  0
 18 19  2  0  0  0
 21 22  2  0  0  0
 21 26  1  0  0  0
 22 23  1  0  0  0
 22 45  1  0  0  0
 23 24  2  0  0  0
 23 28  1  0  0  0
 24 25  1  0  0  0
 24 27  1  0  0  0
 25 26  2  0  0  0
 25 46  1  0  0  0
 26 47  1  0  0  0
 29 30  1  0  0  0
 29 48  1  0  0  0
 29 49  1  0  0  0
 30 31  2  0  0  0
 30 35  1  0  0  0
 31 32  1  0  0  0
 31 37  1  0  0  0
 32 33  2  0  0  0
 32 50  1  0  0  0
 33 34  1  0  0  0
 33 36  1  0  0  0
 34 35  2  0  0  0
 34 51  1  0  0  0
 35 52  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1080281

>  <PubChem CID>
46879896

>  <Formula>
C24H15Cl2F3N4O3S

>  <Molecular Weight>
567.364000

>  <IUPAC Name>
N-[5-[1-[(2,4-dichlorophenyl)methyl]-5-fluoro-3-methylindol-7-yl]-1,3,4-oxadiazol-2-yl]-3,4-difluorobenzenesulfonamide

>  <XlogP>
5.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
CC1=CN(C2=C(C=C(C=C12)F)C3=NN=C(O3)NS(=O)(=O)C4=CC(=C(C=C4)F)F)CC5=C(C=C(C=C5)Cl)Cl

>  <Isomeric SMILES>
CC1=CN(C2=C(C=C(C=C12)F)C3=NN=C(O3)NS(=O)(=O)C4=CC(=C(C=C4)F)F)CC5=C(C=C(C=C5)Cl)Cl

>  <InChI Std. ID>
InChI=1S/C24H15Cl2F3N4O3S/c1-12-10-33(11-13-2-3-14(25)6-19(13)26)22-17(12)7-15(27)8-18(22)23-30-31-24(36-23)32-37(34,35)16-4-5-20(28)21(29)9-16/h2-10H,11H2,1H3,(H,31,32)

>  <InChI Key>
BNWORVIARAMAHR-UHFFFAOYSA-N

