
 CHEMBL554536

 37 40  0  0  0  0  0  0  0  0999 V2000
   -1.7186    0.0704   -0.3458 C   0  0  0  0  0
   -0.2476    0.4606   -0.1676 C   0  0  0  0  0
    0.1622    1.1940   -1.3919 N   0  0  0  0  0
   -0.3005    0.4217   -2.5541 C   0  0  0  0  0
   -1.9258   -0.2475   -2.1190 S   0  0  0  0  0
   -0.2636    1.2744   -3.7985 C   0  0  0  0  0
    0.9111    1.3289   -4.5506 C   0  0  0  0  0
    1.0845    2.0907   -5.6577 N   0  0  0  0  0
    0.0380    2.8493   -6.0401 C   0  0  0  0  0
   -1.1678    2.8887   -5.3632 C   0  0  0  0  0
   -1.3142    2.0978   -4.2250 C   0  0  0  0  0
    0.6359   -0.7585    0.1079 C   0  0  0  0  0
    0.2296   -1.9158    0.1065 O   0  0  0  0  0
    1.9923   -0.4978    0.4345 N   0  0  0  0  0
    2.6227    0.7382    0.4787 C   0  0  0  0  0
    3.9497    0.5747    0.7916 C   0  0  0  0  0
    4.1729   -0.8046    0.9955 C   0  0  0  0  0
    2.9542   -1.4622    0.7859 C   0  0  0  0  0
    2.8579   -2.8621    0.9389 C   0  0  0  0  0
    4.0037   -3.5768    1.2988 C   0  0  0  0  0
    5.2200   -2.9374    1.4978 C   0  0  0  0  0
    5.3161   -1.5512    1.3469 C   0  0  0  0  0
    3.9040   -5.2851    1.5023 Cl  0  0  0  0  0
   -2.0215   -0.8030    0.2387 H   0  0  0  0  0
   -2.3728    0.9085   -0.0826 H   0  0  0  0  0
   -0.1732    1.1157    0.7092 H   0  0  0  0  0
   -0.3533    2.0757   -1.4161 H   0  0  0  0  0
    0.3601   -0.4414   -2.7035 H   0  0  0  0  0
    1.7880    0.7482   -4.2683 H   0  0  0  0  0
    0.2001    3.4480   -6.9307 H   0  0  0  0  0
   -1.9767    3.5205   -5.7111 H   0  0  0  0  0
   -2.2557    2.1326   -3.6840 H   0  0  0  0  0
    2.0906    1.6518    0.2549 H   0  0  0  0  0
    4.6813    1.3687    0.8697 H   0  0  0  0  0
    1.9194   -3.3870    0.7864 H   0  0  0  0  0
    6.1028   -3.5079    1.7744 H   0  0  0  0  0
    6.2689   -1.0532    1.5056 H   0  0  0  0  0
  1  5  1  0  0  0
  1  2  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  2  3  1  0  0  0
  2 12  1  0  0  0
  2 26  1  0  0  0
  3  4  1  0  0  0
  3 27  1  0  0  0
  4  5  1  0  0  0
  4  6  1  0  0  0
  4 28  1  0  0  0
  6  7  2  0  0  0
  6 11  1  0  0  0
  7  8  1  0  0  0
  7 29  1  0  0  0
  8  9  2  0  0  0
  9 10  1  0  0  0
  9 30  1  0  0  0
 10 11  2  0  0  0
 10 31  1  0  0  0
 11 32  1  0  0  0
 12 14  1  0  0  0
 12 13  2  0  0  0
 14 18  1  0  0  0
 14 15  1  0  0  0
 15 16  2  0  0  0
 15 33  1  0  0  0
 16 17  1  0  0  0
 16 34  1  0  0  0
 17 18  2  0  0  0
 17 22  1  0  0  0
 18 19  1  0  0  0
 19 20  2  0  0  0
 19 35  1  0  0  0
 20 21  1  0  0  0
 20 23  1  0  0  0
 21 22  2  0  0  0
 21 36  1  0  0  0
 22 37  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL554536

>  <PubChem CID>
44304217

>  <Formula>
C17H14ClN3OS

>  <Molecular Weight>
343.829000

>  <IUPAC Name>
(6-chloroindol-1-yl)-(2-pyridin-3-yl-1,3-thiazolidin-4-yl)methanone

>  <XlogP>
3.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1C(NC(S1)C2=CN=CC=C2)C(=O)N3C=CC4=C3C=C(C=C4)Cl

>  <Isomeric SMILES>
C1C(NC(S1)C2=CN=CC=C2)C(=O)N3C=CC4=C3C=C(C=C4)Cl

>  <InChI Std. ID>
InChI=1S/C17H14ClN3OS/c18-13-4-3-11-5-7-21(15(11)8-13)17(22)14-10-23-16(20-14)12-2-1-6-19-9-12/h1-9,14,16,20H,10H2

>  <InChI Key>
AZRSJQNXHUUSTF-UHFFFAOYSA-N

