
 SSR126768A

 73 77  0  0  0  0  0  0  0  0999 V2000
    8.8247    5.2105   -1.8438 C   0  0  0  0  0
    9.0928    4.0595   -0.8905 C   0  0  0  0  0
    8.7349    4.3313    0.5067 N   0  0  0  0  0
    9.8154    4.7508    1.4035 C   0  0  0  0  0
   10.1021    6.2274    1.3389 C   0  0  0  0  0
    9.3287    7.1408    2.0515 C   0  0  0  0  0
    9.5288    8.4799    2.0396 N   0  0  0  0  0
   10.5384    8.9365    1.2736 C   0  0  0  0  0
   11.3609    8.1176    0.5186 C   0  0  0  0  0
   11.1401    6.7433    0.5572 C   0  0  0  0  0
    7.4364    4.3753    1.0309 C   0  0  0  0  0
    7.2066    4.6463    2.2090 O   0  0  0  0  0
    6.2557    4.1426    0.1676 C   0  0  0  0  0
    5.2361    5.1120    0.1577 C   0  0  0  0  0
    4.0412    4.9610   -0.6012 C   0  0  0  0  0
    3.9609    3.8040   -1.4027 C   0  0  0  0  0
    4.9597    2.8139   -1.3470 C   0  0  0  0  0
    6.0840    2.9617   -0.5402 C   0  0  0  0  0
    2.7088    3.4780   -2.5448 Cl  0  0  0  0  0
    2.9660    6.0577   -0.4597 C   0  0  0  0  0
    3.4311    7.4051   -0.9947 C   0  0  0  0  0
    3.4028    8.3622    0.0257 C   0  0  0  0  0
    3.7212    9.6848   -0.2227 C   0  0  0  0  0
    4.0824   10.0450   -1.5251 C   0  0  0  0  0
    4.1193    9.0829   -2.5459 C   0  0  0  0  0
    3.7921    7.7505   -2.2908 C   0  0  0  0  0
    4.5565    9.5585   -4.1414 Cl  0  0  0  0  0
    2.9906    7.7659    1.2229 N   0  0  0  0  0
    2.7238    6.4031    1.0487 C   0  0  0  0  0
    2.3306    5.6220    1.9049 O   0  0  0  0  0
    2.8491    8.4499    2.4934 C   0  0  0  0  0
    4.1038    8.4077    3.3389 C   0  0  0  0  0
    4.9126    9.5384    3.5408 C   0  0  0  0  0
    6.0430    9.4423    4.3629 C   0  0  0  0  0
    6.4029    8.2305    4.9594 C   0  0  0  0  0
    5.6140    7.1054    4.7501 C   0  0  0  0  0
    4.4719    7.1964    3.9522 C   0  0  0  0  0
    7.5224    8.2849    5.7446 O   0  0  0  0  0
    8.1276    7.0380    6.0632 C   0  0  0  0  0
    4.5089   10.7006    2.9349 O   0  0  0  0  0
    5.4986   11.7151    2.7917 C   0  0  0  0  0
    1.5433    5.8015   -0.9942 C   0  0  0  0  0
    9.0607    4.9030   -2.8686 H   0  0  0  0  0
    9.4444    6.0786   -1.6086 H   0  0  0  0  0
    7.7797    5.5290   -1.8190 H   0  0  0  0  0
   10.1535    3.7848   -0.9339 H   0  0  0  0  0
    8.5523    3.1764   -1.2335 H   0  0  0  0  0
   10.7165    4.1725    1.1654 H   0  0  0  0  0
    9.5688    4.4823    2.4388 H   0  0  0  0  0
    8.4987    6.8141    2.6741 H   0  0  0  0  0
   10.6728   10.0139    1.2814 H   0  0  0  0  0
   12.1537    8.5416   -0.0867 H   0  0  0  0  0
   11.7719    6.0832   -0.0309 H   0  0  0  0  0
    5.3835    5.9975    0.7804 H   0  0  0  0  0
    4.8572    1.9048   -1.9384 H   0  0  0  0  0
    6.8077    2.1554   -0.4713 H   0  0  0  0  0
    3.6839   10.4399    0.5528 H   0  0  0  0  0
    4.3291   11.0815   -1.7429 H   0  0  0  0  0
    3.8044    7.0106   -3.0847 H   0  0  0  0  0
    2.0460    7.9583    3.0586 H   0  0  0  0  0
    2.4938    9.4720    2.3242 H   0  0  0  0  0
    6.6734   10.3025    4.5637 H   0  0  0  0  0
    5.8464    6.1460    5.1998 H   0  0  0  0  0
    3.8613    6.3047    3.8178 H   0  0  0  0  0
    9.0635    7.2476    6.5900 H   0  0  0  0  0
    8.3731    6.4730    5.1579 H   0  0  0  0  0
    7.4945    6.4505    6.7353 H   0  0  0  0  0
    5.0956   12.4789    2.1196 H   0  0  0  0  0
    6.4143   11.3230    2.3356 H   0  0  0  0  0
    5.7062   12.1952    3.7531 H   0  0  0  0  0
    0.8415    6.5771   -0.6575 H   0  0  0  0  0
    1.1428    4.8497   -0.6273 H   0  0  0  0  0
    1.4974    5.8194   -2.0877 H   0  0  0  0  0
  1  2  1  0  0  0
  1 43  1  0  0  0
  1 44  1  0  0  0
  1 45  1  0  0  0
  2  3  1  0  0  0
  2 46  1  0  0  0
  2 47  1  0  0  0
  3 11  1  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  4 48  1  0  0  0
  4 49  1  0  0  0
  5  6  2  0  0  0
  5 10  1  0  0  0
  6  7  1  0  0  0
  6 50  1  0  0  0
  7  8  2  0  0  0
  8  9  1  0  0  0
  8 51  1  0  0  0
  9 10  2  0  0  0
  9 52  1  0  0  0
 10 53  1  0  0  0
 11 13  1  0  0  0
 11 12  2  0  0  0
 13 14  2  0  0  0
 13 18  1  0  0  0
 14 15  1  0  0  0
 14 54  1  0  0  0
 15 16  2  0  0  0
 15 20  1  0  0  0
 16 17  1  0  0  0
 16 19  1  0  0  0
 17 18  2  0  0  0
 17 55  1  0  0  0
 18 56  1  0  0  0
 20 21  1  0  0  0
 20 29  1  0  0  0
 20 42  1  0  0  0
 21 26  1  0  0  0
 21 22  2  0  0  0
 22 28  1  0  0  0
 22 23  1  0  0  0
 23 24  2  0  0  0
 23 57  1  0  0  0
 24 25  1  0  0  0
 24 58  1  0  0  0
 25 26  2  0  0  0
 25 27  1  0  0  0
 26 59  1  0  0  0
 28 29  1  0  0  0
 28 31  1  0  0  0
 29 30  2  0  0  0
 31 32  1  0  0  0
 31 60  1  0  0  0
 31 61  1  0  0  0
 32 33  2  0  0  0
 32 37  1  0  0  0
 33 34  1  0  0  0
 33 40  1  0  0  0
 34 35  2  0  0  0
 34 62  1  0  0  0
 35 36  1  0  0  0
 35 38  1  0  0  0
 36 37  2  0  0  0
 36 63  1  0  0  0
 37 64  1  0  0  0
 38 39  1  0  0  0
 39 65  1  0  0  0
 39 66  1  0  0  0
 39 67  1  0  0  0
 40 41  1  0  0  0
 41 68  1  0  0  0
 41 69  1  0  0  0
 41 70  1  0  0  0
 42 71  1  0  0  0
 42 72  1  0  0  0
 42 73  1  0  0  0
M  END

>  <Chemical Name>
SSR126768A

>  <PubChem CID>
10461270

>  <Formula>
C33H31Cl2N3O4

>  <Molecular Weight>
604.528000

>  <IUPAC Name>
4-chloro-3-[(3R)-5-chloro-1-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2-oxoindol-3-yl]-N-ethyl-N-(pyridin-3-ylmethyl)benzamide

>  <XlogP>
6.0

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CCN(CC1=CN=CC=C1)C(=O)C2=CC(=C(C=C2)Cl)C3(C4=C(C=CC(=C4)Cl)N(C3=O)CC5=C(C=C(C=C5)OC)OC)C

>  <Isomeric SMILES>
CCN(CC1=CN=CC=C1)C(=O)C2=CC(=C(C=C2)Cl)[C@]3(C4=C(C=CC(=C4)Cl)N(C3=O)CC5=C(C=C(C=C5)OC)OC)C

>  <InChI Std. ID>
InChI=1S/C33H31Cl2N3O4/c1-5-37(19-21-7-6-14-36-18-21)31(39)22-9-12-28(35)26(15-22)33(2)27-16-24(34)10-13-29(27)38(32(33)40)20-23-8-11-25(41-3)17-30(23)42-4/h6-18H,5,19-20H2,1-4H3/t33-/m0/s1

>  <InChI Key>
UENRBNCNIZQNTR-XIFFEERXSA-N

