
 CHEMBL601218

 39 42  0  0  0  0  0  0  0  0999 V2000
    3.1800   -1.7749   -1.0906 C   0  0  0  0  0
    4.2162   -0.9226   -1.7045 C   0  0  0  0  0
    4.7342    0.3324   -1.4478 C   0  0  0  0  0
    5.5910    0.5856   -2.5675 C   0  0  0  0  0
    5.6376   -0.4926   -3.3673 N   0  0  0  0  0
    4.7883   -1.4240   -2.8260 O   0  0  0  0  0
    6.3120    1.8029   -2.9473 C   0  0  0  0  0
    5.5966    3.0069   -3.0703 C   0  0  0  0  0
    6.2202    4.1769   -3.5140 C   0  0  0  0  0
    7.5660    4.1593   -3.8632 C   0  0  0  0  0
    8.2939    2.9759   -3.7480 C   0  0  0  0  0
    7.6779    1.8047   -3.2838 C   0  0  0  0  0
    8.6895    0.4081   -3.1208 Cl  0  0  0  0  0
    4.3295    1.2126   -0.3693 C   0  0  0  0  0
    3.7832    2.2797   -0.6446 O   0  0  0  0  0
    4.5554    0.7708    0.9297 N   0  0  0  0  0
    5.4018   -0.3675    1.3425 C   0  0  0  0  0
    5.2609   -0.5168    2.8636 C   0  0  0  0  0
    4.5542    0.7464    3.2331 C   0  0  0  0  0
    4.1489    1.4522    2.0984 C   0  0  0  0  0
    3.4393    2.6371    2.2244 C   0  0  0  0  0
    3.1420    3.1110    3.5082 C   0  0  0  0  0
    3.5472    2.3928    4.6402 C   0  0  0  0  0
    4.2554    1.1981    4.5121 C   0  0  0  0  0
    3.1592    2.9884    6.2075 Cl  0  0  0  0  0
    3.5683   -2.7823   -0.9115 H   0  0  0  0  0
    2.3150   -1.8534   -1.7563 H   0  0  0  0  0
    2.8330   -1.3692   -0.1363 H   0  0  0  0  0
    4.5321    3.0461   -2.8466 H   0  0  0  0  0
    5.6451    5.0961   -3.6008 H   0  0  0  0  0
    8.0473    5.0636   -4.2279 H   0  0  0  0  0
    9.3454    2.9697   -4.0262 H   0  0  0  0  0
    5.1120   -1.2898    0.8349 H   0  0  0  0  0
    6.4354   -0.1361    1.0600 H   0  0  0  0  0
    4.6383   -1.3824    3.1146 H   0  0  0  0  0
    6.2354   -0.6096    3.3514 H   0  0  0  0  0
    3.1101    3.2092    1.3636 H   0  0  0  0  0
    2.5904    4.0413    3.6181 H   0  0  0  0  0
    4.5587    0.6346    5.3891 H   0  0  0  0  0
  1  2  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2  6  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  3 14  1  0  0  0
  4  5  2  0  0  0
  4  7  1  0  0  0
  5  6  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 29  1  0  0  0
  9 10  2  0  0  0
  9 30  1  0  0  0
 10 11  1  0  0  0
 10 31  1  0  0  0
 11 12  2  0  0  0
 11 32  1  0  0  0
 12 13  1  0  0  0
 14 16  1  0  0  0
 14 15  2  0  0  0
 16 17  1  0  0  0
 16 20  1  0  0  0
 17 18  1  0  0  0
 17 33  1  0  0  0
 17 34  1  0  0  0
 18 19  1  0  0  0
 18 35  1  0  0  0
 18 36  1  0  0  0
 19 24  1  0  0  0
 19 20  2  0  0  0
 20 21  1  0  0  0
 21 22  2  0  0  0
 21 37  1  0  0  0
 22 23  1  0  0  0
 22 38  1  0  0  0
 23 24  2  0  0  0
 23 25  1  0  0  0
 24 39  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL601218

>  <PubChem CID>
46232698

>  <Formula>
C19H14Cl2N2O2

>  <Molecular Weight>
373.233000

>  <IUPAC Name>
(5-chloro-2,3-dihydroindol-1-yl)-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone

>  <XlogP>
4.7

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)N3CCC4=C3C=CC(=C4)Cl

>  <Isomeric SMILES>
CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)N3CCC4=C3C=CC(=C4)Cl

>  <InChI Std. ID>
InChI=1S/C19H14Cl2N2O2/c1-11-17(18(22-25-11)14-4-2-3-5-15(14)21)19(24)23-9-8-12-10-13(20)6-7-16(12)23/h2-7,10H,8-9H2,1H3

>  <InChI Key>
CZTXMHXBVNZMDI-UHFFFAOYSA-N

