
 CHEMBL521685

 53 57  0  0  0  0  0  0  0  0999 V2000
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   -1.3763   -0.4233    0.2517 C   0  0  0  0  0
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    0.8021    0.8639    0.4311 N   0  0  0  0  0
    0.9246    0.8983    1.9014 C   0  0  0  0  0
    2.3603    1.1407    2.3891 C   0  0  0  0  0
    2.4238    1.1984    3.8440 N   0  0  0  0  0
    2.3774    2.3589    4.5684 C   0  0  0  0  0
    2.4570    2.0254    5.9028 C   0  0  0  0  0
    2.5650    0.6087    5.9978 C   0  0  0  0  0
    2.6875   -0.3078    7.0653 C   0  0  0  0  0
    2.7793   -1.6777    6.7989 C   0  0  0  0  0
    2.7482   -2.1470    5.4904 C   0  0  0  0  0
    2.6282   -1.2647    4.4135 C   0  0  0  0  0
    2.5415    0.1107    4.6879 C   0  0  0  0  0
    2.4371    3.0220    7.0075 C   0  0  0  0  0
    2.3737    4.3250    6.8155 N   0  0  0  0  0
    2.4303    4.8215    8.0954 C   0  0  0  0  0
    2.4610    3.8893    9.0563 N   0  0  0  0  0
    2.4845    2.6942    8.3377 O   0  0  0  0  0
    2.4245    6.2782    8.3825 C   0  0  0  0  0
    3.8543    6.7401    8.2093 C   0  0  0  0  0
    4.2966    7.1209    6.9266 C   0  0  0  0  0
    5.6142    7.5280    6.7095 C   0  0  0  0  0
    6.5154    7.5602    7.7694 C   0  0  0  0  0
    6.0976    7.1871    9.0456 C   0  0  0  0  0
    4.7775    6.7799    9.2677 C   0  0  0  0  0
    4.3451    6.3441   10.8826 Cl  0  0  0  0  0
   -0.6413    1.1187   -1.0608 H   0  0  0  0  0
   -1.1472    1.7265    0.5034 H   0  0  0  0  0
   -2.3825   -0.3519   -0.1731 H   0  0  0  0  0
   -1.4864   -0.6409    1.3198 H   0  0  0  0  0
    0.6458   -1.9279    1.1167 H   0  0  0  0  0
    1.1009   -2.4537   -0.5047 H   0  0  0  0  0
    2.4589   -0.4562    0.1366 H   0  0  0  0  0
    1.4608   -0.1579   -1.2648 H   0  0  0  0  0
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    2.7470    2.0909    2.0031 H   0  0  0  0  0
    3.0494    0.3533    2.0709 H   0  0  0  0  0
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    2.7162    0.0394    8.0947 H   0  0  0  0  0
    2.8777   -2.3790    7.6233 H   0  0  0  0  0
    2.8215   -3.2159    5.3016 H   0  0  0  0  0
    2.6088   -1.6452    3.3972 H   0  0  0  0  0
    2.0333    6.5010    9.3794 H   0  0  0  0  0
    1.7704    6.8012    7.6745 H   0  0  0  0  0
    3.6122    7.0847    6.0795 H   0  0  0  0  0
    5.9375    7.8111    5.7109 H   0  0  0  0  0
    7.5433    7.8710    7.6022 H   0  0  0  0  0
    6.8087    7.2116    9.8678 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  2  3  1  0  0  0
  2 33  1  0  0  0
  2 34  1  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  4 35  1  0  0  0
  4 36  1  0  0  0
  5  6  1  0  0  0
  5 37  1  0  0  0
  5 38  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  7 39  1  0  0  0
  7 40  1  0  0  0
  8  9  1  0  0  0
  8 41  1  0  0  0
  8 42  1  0  0  0
  9 17  1  0  0  0
  9 10  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL521685

>  <PubChem CID>
22339945

>  <Formula>
C23H23ClN4O2

>  <Molecular Weight>
422.913000

>  <IUPAC Name>
4-[2-[3-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]indol-1-yl]ethyl]morpholine

>  <XlogP>
4.1

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1COCCN1CCN2C=C(C3=CC=CC=C32)C4=NC(=NO4)CC5=CC=CC=C5Cl

>  <Isomeric SMILES>
C1COCCN1CCN2C=C(C3=CC=CC=C32)C4=NC(=NO4)CC5=CC=CC=C5Cl

>  <InChI Std. ID>
InChI=1S/C23H23ClN4O2/c24-20-7-3-1-5-17(20)15-22-25-23(30-26-22)19-16-28(21-8-4-2-6-18(19)21)10-9-27-11-13-29-14-12-27/h1-8,16H,9-15H2

>  <InChI Key>
CNKBVNMRAAYLLG-UHFFFAOYSA-N

