
 CHEMBL82890

 70 73  0  0  0  0  0  0  0  0999 V2000
    1.8869   -1.4419    1.0272 C   0  0  0  0  0
    2.8204   -1.0806   -0.1184 C   0  0  0  0  0
    3.7625    0.0716    0.2711 C   0  0  0  0  0
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    3.7947   -2.1201   -0.3548 N   0  0  0  0  0
    6.2281    0.4594    0.3701 C   0  0  0  0  0
    6.6295    0.4435    1.8488 C   0  0  0  0  0
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    9.0718    0.6379    2.4725 C   0  0  0  0  0
   11.1647    3.7108    2.5769 N   0  0  0  0  0
   10.6648    4.9774    2.3562 C   0  0  0  0  0
    9.3033    4.8326    2.0960 C   0  0  0  0  0
    8.2997    5.8893    1.7221 C   0  0  0  0  0
    7.2274    6.0832    2.8121 C   0  0  0  0  0
    6.2950    7.2042    2.5757 N   0  0  0  0  0
    5.5835    7.0779    1.3019 C   0  0  0  0  0
    5.3228    7.2625    3.6745 C   0  0  0  0  0
   11.5627    6.1131    2.3574 C   0  0  0  0  0
   12.7456    5.9944    2.0501 O   0  0  0  0  0
   11.0234    7.3013    2.7767 N   0  0  0  0  0
   11.7855    8.5320    2.8156 C   0  0  0  0  0
   12.3145    8.8564    4.1947 C   0  0  0  0  0
   13.2475    7.9672    4.7704 C   0  0  0  0  0
   13.7666    8.1810    6.0456 C   0  0  0  0  0
   13.3544    9.2858    6.7755 C   0  0  0  0  0
   12.4437   10.1828    6.2160 C   0  0  0  0  0
   11.9591   10.0178    4.9070 C   0  0  0  0  0
   10.9783   10.9168    4.4542 N   0  0  0  0  0
    2.0689   -0.7330   -1.3974 C   0  0  0  0  0
    2.4446   -1.6381    1.9503 H   0  0  0  0  0
    1.3090   -2.3433    0.7940 H   0  0  0  0  0
    1.1828   -0.6293    1.2366 H   0  0  0  0  0
    3.6019   -3.0743   -0.6312 H   0  0  0  0  0
    6.0043    1.4826    0.0460 H   0  0  0  0  0
    7.0523    0.0846   -0.2482 H   0  0  0  0  0
    6.7843   -0.5921    2.1774 H   0  0  0  0  0
    5.8144    0.8347    2.4710 H   0  0  0  0  0
    6.9139    3.1525    1.6785 H   0  0  0  0  0
   11.1721    0.8789    2.9436 H   0  0  0  0  0
    9.1108   -0.4434    2.5952 H   0  0  0  0  0
   12.1423    3.5229    2.7555 H   0  0  0  0  0
    7.8287    5.5803    0.7804 H   0  0  0  0  0
    8.7949    6.8422    1.5109 H   0  0  0  0  0
    7.7439    6.2614    3.7651 H   0  0  0  0  0
    6.6605    5.1520    2.9380 H   0  0  0  0  0
    6.2706    7.1907    0.4572 H   0  0  0  0  0
    4.8429    7.8786    1.1922 H   0  0  0  0  0
    5.0658    6.1165    1.2089 H   0  0  0  0  0
    5.8318    7.3990    4.6350 H   0  0  0  0  0
    4.7132    6.3526    3.7337 H   0  0  0  0  0
    4.6502    8.1184    3.5509 H   0  0  0  0  0
   10.1159    7.2992    3.2196 H   0  0  0  0  0
   11.1100    9.3052    2.4418 H   0  0  0  0  0
   12.6244    8.4826    2.1113 H   0  0  0  0  0
   13.5744    7.0883    4.2176 H   0  0  0  0  0
   14.4783    7.4768    6.4677 H   0  0  0  0  0
   13.7341    9.4499    7.7800 H   0  0  0  0  0
   12.1207   11.0319    6.8135 H   0  0  0  0  0
   10.9550   11.0458    3.4495 H   0  0  0  0  0
   11.0082   11.8136    4.9312 H   0  0  0  0  0
    2.7572   -0.4426   -2.2000 H   0  0  0  0  0
    1.3829    0.1060   -1.2370 H   0  0  0  0  0
    1.4864   -1.5883   -1.7572 H   0  0  0  0  0
  1  2  1  0  0  0
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  1 39  1  0  0  0
  2  8  1  0  0  0
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 34 35  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL82890

>  <PubChem CID>
10838796

>  <Formula>
C27H34N6O3

>  <Molecular Weight>
490.608000

>  <IUPAC Name>
N-[(2-aminophenyl)methyl]-3-[2-(dimethylamino)ethyl]-5-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]-1H-indole-2-carboxamide

>  <XlogP>
3.1

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1(C(=O)N(C(=O)N1)CCC2=CC3=C(C=C2)NC(=C3CCN(C)C)C(=O)NCC4=CC=CC=C4N)C

>  <Isomeric SMILES>
CC1(C(=O)N(C(=O)N1)CCC2=CC3=C(C=C2)NC(=C3CCN(C)C)C(=O)NCC4=CC=CC=C4N)C

>  <InChI Std. ID>
InChI=1S/C27H34N6O3/c1-27(2)25(35)33(26(36)31-27)14-11-17-9-10-22-20(15-17)19(12-13-32(3)4)23(30-22)24(34)29-16-18-7-5-6-8-21(18)28/h5-10,15,30H,11-14,16,28H2,1-4H3,(H,29,34)(H,31,36)

>  <InChI Key>
ATCZPHDJCTXQRU-UHFFFAOYSA-N

