
 CHEMBL144901

 60 64  0  0  0  0  0  0  0  0999 V2000
    3.2371   -3.0539    2.9190 C   0  0  0  0  0
    4.2144   -2.2480    2.1092 C   0  0  0  0  0
    5.1237   -1.4211    2.7988 C   0  0  0  0  0
    6.0894   -0.6738    2.1361 C   0  0  0  0  0
    6.2100   -0.7538    0.7500 C   0  0  0  0  0
    5.3339   -1.5782    0.0124 C   0  0  0  0  0
    4.3047   -2.2528    0.6949 C   0  0  0  0  0
    3.4841   -2.7801   -0.2967 N   0  0  0  0  0
    4.1735   -2.7950   -1.4818 C   0  0  0  0  0
    5.2261   -1.9122   -1.3743 C   0  0  0  0  0
    5.9909   -1.4822   -2.5378 C   0  0  0  0  0
    5.3279   -1.1901   -3.7440 C   0  0  0  0  0
    6.0393   -0.7635   -4.8656 C   0  0  0  0  0
    7.4177   -0.6201   -4.7811 C   0  0  0  0  0
    8.0944   -0.9022   -3.6001 C   0  0  0  0  0
    7.3826   -1.3382   -2.4782 C   0  0  0  0  0
    8.1032   -0.2039   -5.8535 F   0  0  0  0  0
    2.0307   -2.9700   -0.1912 C   0  0  0  0  0
    1.2477   -1.9745   -1.0658 C   0  0  0  0  0
    1.0503   -2.4508   -2.5048 C   0  0  0  0  0
    0.5133   -3.8130   -2.6192 N   0  0  0  0  0
    1.3277   -4.7746   -1.8647 C   0  0  0  0  0
    1.5596   -4.4121   -0.3981 C   0  0  0  0  0
   -0.9200   -3.8944   -2.2881 C   0  0  0  0  0
   -1.8164   -3.2632   -3.3740 C   0  0  0  0  0
   -3.2275   -3.3325   -3.0459 N   0  0  0  0  0
   -4.0020   -4.5504   -3.1327 C   0  0  0  0  0
   -5.3908   -4.1008   -2.6964 C   0  0  0  0  0
   -5.1332   -2.8935   -1.9590 N   0  0  0  0  0
   -3.8724   -2.3955   -2.2455 C   0  0  0  0  0
   -3.4327   -1.3325   -1.8476 O   0  0  0  0  0
    3.7002   -3.3964    3.8513 H   0  0  0  0  0
    2.9215   -3.9521    2.3804 H   0  0  0  0  0
    2.3598   -2.4491    3.1660 H   0  0  0  0  0
    5.0766   -1.3617    3.8854 H   0  0  0  0  0
    6.7667   -0.0387    2.7009 H   0  0  0  0  0
    6.9806   -0.1792    0.2455 H   0  0  0  0  0
    3.7953   -3.3102   -2.3513 H   0  0  0  0  0
    4.2462   -1.2824   -3.8164 H   0  0  0  0  0
    5.5274   -0.5395   -5.7951 H   0  0  0  0  0
    9.1725   -0.7844   -3.5590 H   0  0  0  0  0
    7.9247   -1.5736   -1.5664 H   0  0  0  0  0
    1.7829   -2.6975    0.8387 H   0  0  0  0  0
    1.7400   -0.9938   -1.0713 H   0  0  0  0  0
    0.2624   -1.8126   -0.6104 H   0  0  0  0  0
    0.4198   -1.7286   -3.0331 H   0  0  0  0  0
    1.9956   -2.4085   -3.0532 H   0  0  0  0  0
    0.8762   -5.7736   -1.9210 H   0  0  0  0  0
    2.2920   -4.8870   -2.3717 H   0  0  0  0  0
    0.6121   -4.5444    0.1412 H   0  0  0  0  0
    2.2690   -5.1192    0.0487 H   0  0  0  0  0
   -1.1394   -3.4541   -1.3086 H   0  0  0  0  0
   -1.2078   -4.9510   -2.2137 H   0  0  0  0  0
   -1.6682   -3.7613   -4.3387 H   0  0  0  0  0
   -1.5749   -2.2040   -3.5049 H   0  0  0  0  0
   -3.5866   -5.2773   -2.4269 H   0  0  0  0  0
   -3.9811   -4.9584   -4.1464 H   0  0  0  0  0
   -6.0183   -3.8446   -3.5558 H   0  0  0  0  0
   -5.9033   -4.8327   -2.0678 H   0  0  0  0  0
   -5.8218   -2.2973   -1.5189 H   0  0  0  0  0
  1  2  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 35  1  0  0  0
  4  5  2  0  0  0
  4 36  1  0  0  0
  5  6  1  0  0  0
  5 37  1  0  0  0
  6 10  1  0  0  0
  6  7  2  0  0  0
  7  8  1  0  0  0
  8  9  1  0  0  0
  8 18  1  0  0  0
  9 10  2  0  0  0
  9 38  1  0  0  0
 10 11  1  0  0  0
 11 12  2  0  0  0
 11 16  1  0  0  0
 12 13  1  0  0  0
 12 39  1  0  0  0
 13 14  2  0  0  0
 13 40  1  0  0  0
 14 15  1  0  0  0
 14 17  1  0  0  0
 15 16  2  0  0  0
 15 41  1  0  0  0
 16 42  1  0  0  0
 18 23  1  0  0  0
 18 19  1  0  0  0
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 19 20  1  0  0  0
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 20 21  1  0  0  0
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 20 47  1  0  0  0
 21 22  1  0  0  0
 21 24  1  0  0  0
 22 23  1  0  0  0
 22 48  1  0  0  0
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 23 50  1  0  0  0
 23 51  1  0  0  0
 24 25  1  0  0  0
 24 52  1  0  0  0
 24 53  1  0  0  0
 25 26  1  0  0  0
 25 54  1  0  0  0
 25 55  1  0  0  0
 26 30  1  0  0  0
 26 27  1  0  0  0
 27 28  1  0  0  0
 27 56  1  0  0  0
 27 57  1  0  0  0
 28 29  1  0  0  0
 28 58  1  0  0  0
 28 59  1  0  0  0
 29 30  1  0  0  0
 29 60  1  0  0  0
 30 31  2  0  0  0
M  END

>  <Chemical Name>
CHEMBL144901

>  <PubChem CID>
10047772

>  <Formula>
C25H29FN4O

>  <Molecular Weight>
420.532000

>  <IUPAC Name>
1-[2-[4-[3-(4-fluorophenyl)-7-methylindol-1-yl]piperidin-1-yl]ethyl]imidazolidin-2-one

>  <XlogP>
3.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1=CC=CC2=C1N(C=C2C3=CC=C(C=C3)F)C4CCN(CC4)CCN5CCNC5=O

>  <Isomeric SMILES>
CC1=CC=CC2=C1N(C=C2C3=CC=C(C=C3)F)C4CCN(CC4)CCN5CCNC5=O

>  <InChI Std. ID>
InChI=1S/C25H29FN4O/c1-18-3-2-4-22-23(19-5-7-20(26)8-6-19)17-30(24(18)22)21-9-12-28(13-10-21)15-16-29-14-11-27-25(29)31/h2-8,17,21H,9-16H2,1H3,(H,27,31)

>  <InChI Key>
BTXNBVXZBBDLMA-UHFFFAOYSA-N

