
 CHEMBL415933

 58 62  0  0  0  0  0  0  0  0999 V2000
   -0.3419    0.4503    0.0051 C   0  0  0  0  0
    0.9495    0.0200    0.4207 O   0  0  0  0  0
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    3.1463    0.5328    1.0081 C   0  0  0  0  0
    5.0535    3.7208    0.9919 N   0  0  0  0  0
    6.3406    3.5754    1.4519 C   0  0  0  0  0
    6.9677    4.7996    1.3714 C   0  0  0  0  0
    6.0282    5.7179    0.8457 C   0  0  0  0  0
    4.8394    5.0389    0.6482 C   0  0  0  0  0
    3.5484    5.4701    0.1378 C   0  0  0  0  0
    2.6041    4.5734   -0.0064 N   0  0  0  0  0
    3.2620    6.7970   -0.2036 N   0  0  0  0  0
    3.2964    7.7756    0.9058 C   0  0  0  0  0
    3.0402    9.2176    0.4256 C   0  0  0  0  0
    1.7998    9.3979   -0.3610 N   0  0  0  0  0
    1.8937    8.4683   -1.5135 C   0  0  0  0  0
    2.1195    6.9904   -1.1326 C   0  0  0  0  0
    0.5676    9.1418    0.4094 C   0  0  0  0  0
    0.3670   10.0831    1.6037 C   0  0  0  0  0
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   -0.0928    8.0887    3.9053 N   0  0  0  0  0
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    0.1001    8.8319    5.0118 N   0  0  0  0  0
   -1.0001   -0.4236   -0.0015 H   0  0  0  0  0
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    3.2694   -0.5191    1.2591 H   0  0  0  0  0
    6.7211    2.6220    1.7894 H   0  0  0  0  0
    7.9934    5.0046    1.6489 H   0  0  0  0  0
    6.2033    6.7649    0.6328 H   0  0  0  0  0
    4.2695    7.7599    1.4050 H   0  0  0  0  0
    2.5533    7.4938    1.6572 H   0  0  0  0  0
    3.0629    9.9036    1.2780 H   0  0  0  0  0
    3.8857    9.5296   -0.2032 H   0  0  0  0  0
    0.9932    8.5525   -2.1347 H   0  0  0  0  0
    2.7226    8.7988   -2.1536 H   0  0  0  0  0
    1.2012    6.5868   -0.6883 H   0  0  0  0  0
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    0.5294    8.1065    0.7595 H   0  0  0  0  0
   -0.2897    9.2748   -0.2637 H   0  0  0  0  0
    0.3859   11.1218    1.2503 H   0  0  0  0  0
    1.1852    9.9811    2.3234 H   0  0  0  0  0
   -1.7920   10.0202    1.6444 H   0  0  0  0  0
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    2.3544    6.4048    5.2062 H   0  0  0  0  0
    1.4737    8.6234    6.5695 H   0  0  0  0  0
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  1 31  1  0  0  0
  1 32  1  0  0  0
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  2  3  1  0  0  0
  3  8  1  0  0  0
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  4  5  1  0  0  0
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  5  6  2  0  0  0
  5 15  1  0  0  0
  6  7  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL415933

>  <PubChem CID>
44296810

>  <Formula>
C23H28N6O

>  <Molecular Weight>
404.518000

>  <IUPAC Name>
7-methoxy-4-[4-(4-pyrazol-1-ylbutyl)piperazin-1-yl]pyrrolo[1,2-a]quinoxaline

>  <XlogP>
3.7

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
COC1=CC2=C(C=C1)N3C=CC=C3C(=N2)N4CCN(CC4)CCCCN5C=CC=N5

>  <Isomeric SMILES>
COC1=CC2=C(C=C1)N3C=CC=C3C(=N2)N4CCN(CC4)CCCCN5C=CC=N5

>  <InChI Std. ID>
InChI=1S/C23H28N6O/c1-30-19-7-8-21-20(18-19)25-23(22-6-4-13-29(21)22)27-16-14-26(15-17-27)10-2-3-11-28-12-5-9-24-28/h4-9,12-13,18H,2-3,10-11,14-17H2,1H3

>  <InChI Key>
NOIZELMBLJHYSX-UHFFFAOYSA-N

