
 CHEMBL282229

 70 74  0  0  0  0  0  0  0  0999 V2000
    3.8568    1.9625    1.4829 C   0  0  0  0  0
    2.8083    1.2933    0.6324 C   0  0  0  0  0
    1.8250    2.0144   -0.0826 C   0  0  0  0  0
    0.8964    1.2757   -0.8466 C   0  0  0  0  0
    0.9387   -0.1198   -0.9177 C   0  0  0  0  0
    1.9210   -0.8330   -0.2307 C   0  0  0  0  0
    2.8502   -0.1162    0.5364 C   0  0  0  0  0
    1.9765   -2.2877   -0.3284 C   0  0  0  0  0
    2.7768   -3.0639    0.4224 N   0  0  0  0  0
    2.5096   -4.3542   -0.0303 O   0  0  0  0  0
    1.5758   -4.2326   -1.0140 C   0  0  0  0  0
    1.2065   -2.9928   -1.2316 N   0  0  0  0  0
    1.1458   -5.4753   -1.6765 C   0  0  0  0  0
    1.7109    3.4906   -0.0785 C   0  0  0  0  0
    2.7946    4.3228   -0.4089 C   0  0  0  0  0
    2.6564    5.7167   -0.4575 C   0  0  0  0  0
    1.4078    6.3002   -0.2455 C   0  0  0  0  0
    0.3274    5.4946    0.1256 C   0  0  0  0  0
    0.4816    4.1081    0.2139 C   0  0  0  0  0
    1.1590    7.7598   -0.3640 C   0  0  0  0  0
    0.6123    8.2944    0.5987 O   0  0  0  0  0
    1.4783    8.3968   -1.5584 N   0  0  0  0  0
    2.1664    7.8185   -2.7316 C   0  0  0  0  0
    2.3429    8.9366   -3.7654 C   0  0  0  0  0
    1.4862   10.0155   -3.1951 C   0  0  0  0  0
    1.1510   11.2217   -3.7885 C   0  0  0  0  0
    0.3034   12.1131   -3.1143 C   0  0  0  0  0
   -0.1677   11.7833   -1.8243 C   0  0  0  0  0
    0.1787   10.5474   -1.2459 C   0  0  0  0  0
    1.0208    9.6832   -1.9277 C   0  0  0  0  0
   -1.0379   12.6297   -1.1836 O   0  0  0  0  0
   -0.7469   12.9072    0.1963 C   0  0  0  0  0
    0.2253   14.0936    0.3082 C   0  0  0  0  0
    0.5893   14.4478    1.6948 N   0  0  0  0  0
    1.4431   13.4208    2.3004 C   0  0  0  0  0
    1.2880   15.7361    1.7103 C   0  0  0  0  0
    0.0637   13.2462   -3.8466 O   0  0  0  0  0
   -0.9958   14.1018   -3.4488 C   0  0  0  0  0
    4.6930    2.2936    0.8588 H   0  0  0  0  0
    4.2529    1.2715    2.2357 H   0  0  0  0  0
    3.4439    2.8146    2.0302 H   0  0  0  0  0
    0.1233    1.7931   -1.4140 H   0  0  0  0  0
    0.1984   -0.6413   -1.5214 H   0  0  0  0  0
    3.6269   -0.6599    1.0744 H   0  0  0  0  0
    0.4169   -5.2614   -2.4636 H   0  0  0  0  0
    0.6832   -6.1558   -0.9560 H   0  0  0  0  0
    2.0017   -5.9813   -2.1332 H   0  0  0  0  0
    3.7640    3.8879   -0.6439 H   0  0  0  0  0
    3.5307    6.3270   -0.6600 H   0  0  0  0  0
   -0.6401    5.9441    0.3422 H   0  0  0  0  0
   -0.3783    3.5062    0.5043 H   0  0  0  0  0
    1.5535    6.9988   -3.1231 H   0  0  0  0  0
    3.1436    7.4224   -2.4488 H   0  0  0  0  0
    2.0105    8.6175   -4.7572 H   0  0  0  0  0
    3.3864    9.2658   -3.8137 H   0  0  0  0  0
    1.5230   11.4722   -4.7784 H   0  0  0  0  0
   -0.2465   10.2477   -0.2960 H   0  0  0  0  0
   -0.3866   12.0289    0.7346 H   0  0  0  0  0
   -1.7000   13.1809    0.6645 H   0  0  0  0  0
   -0.2733   14.9521   -0.1624 H   0  0  0  0  0
    1.1219   13.9069   -0.2968 H   0  0  0  0  0
    0.9032   12.4770    2.4238 H   0  0  0  0  0
    1.7530   13.7226    3.3075 H   0  0  0  0  0
    2.3452   13.2310    1.7070 H   0  0  0  0  0
    0.6409   16.5295    1.3197 H   0  0  0  0  0
    2.2085   15.7151    1.1157 H   0  0  0  0  0
    1.5458   16.0227    2.7361 H   0  0  0  0  0
   -1.1500   14.8290   -4.2528 H   0  0  0  0  0
   -0.7231   14.6681   -2.5547 H   0  0  0  0  0
   -1.9360   13.5562   -3.3214 H   0  0  0  0  0
  1  2  1  0  0  0
  1 39  1  0  0  0
  1 40  1  0  0  0
  1 41  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 14  1  0  0  0
  4  5  2  0  0  0
  4 42  1  0  0  0
  5  6  1  0  0  0
  5 43  1  0  0  0
  6  7  2  0  0  0
  6  8  1  0  0  0
  7 44  1  0  0  0
  8 12  1  0  0  0
  8  9  2  0  0  0
  9 10  1  0  0  0
 10 11  1  0  0  0
 11 12  2  0  0  0
 11 13  1  0  0  0
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 14 15  2  0  0  0
 14 19  1  0  0  0
 15 16  1  0  0  0
 15 48  1  0  0  0
 16 17  2  0  0  0
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 18 19  2  0  0  0
 18 50  1  0  0  0
 19 51  1  0  0  0
 20 22  1  0  0  0
 20 21  2  0  0  0
 22 23  1  0  0  0
 22 30  1  0  0  0
 23 24  1  0  0  0
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 23 53  1  0  0  0
 24 25  1  0  0  0
 24 54  1  0  0  0
 24 55  1  0  0  0
 25 26  2  0  0  0
 25 30  1  0  0  0
 26 27  1  0  0  0
 26 56  1  0  0  0
 27 28  2  0  0  0
 27 37  1  0  0  0
 28 29  1  0  0  0
 28 31  1  0  0  0
 29 30  2  0  0  0
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 31 32  1  0  0  0
 32 33  1  0  0  0
 32 58  1  0  0  0
 32 59  1  0  0  0
 33 34  1  0  0  0
 33 60  1  0  0  0
 33 61  1  0  0  0
 34 36  1  0  0  0
 34 35  1  0  0  0
 35 62  1  0  0  0
 35 63  1  0  0  0
 35 64  1  0  0  0
 36 65  1  0  0  0
 36 66  1  0  0  0
 36 67  1  0  0  0
 37 38  1  0  0  0
 38 68  1  0  0  0
 38 69  1  0  0  0
 38 70  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL282229

>  <PubChem CID>
10673329

>  <Formula>
C30H32N4O4

>  <Molecular Weight>
512.610000

>  <IUPAC Name>
[6-[2-(dimethylamino)ethoxy]-5-methoxy-2,3-dihydroindol-1-yl]-[4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methanone

>  <XlogP>
5.2

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC1=C(C=CC(=C1)C2=NOC(=N2)C)C3=CC=C(C=C3)C(=O)N4CCC5=CC(=C(C=C54)OCCN(C)C)OC

>  <Isomeric SMILES>
CC1=C(C=CC(=C1)C2=NOC(=N2)C)C3=CC=C(C=C3)C(=O)N4CCC5=CC(=C(C=C54)OCCN(C)C)OC

>  <InChI Std. ID>
InChI=1S/C30H32N4O4/c1-19-16-24(29-31-20(2)38-32-29)10-11-25(19)21-6-8-22(9-7-21)30(35)34-13-12-23-17-27(36-5)28(18-26(23)34)37-15-14-33(3)4/h6-11,16-18H,12-15H2,1-5H3

>  <InChI Key>
AXGKNTNGRRGWAT-UHFFFAOYSA-N

