
 Nortopsentin A

 37 41  0  0  0  0  0  0  0  0999 V2000
    2.5199   -0.9812    0.0253 C   0  0  0  0  0
    1.2865   -1.6467    0.0321 C   0  0  0  0  0
    0.0819   -0.9094   -0.0057 C   0  0  0  0  0
    0.1766    0.4860   -0.0502 C   0  0  0  0  0
    1.3999    1.1715   -0.0573 C   0  0  0  0  0
    2.5672    0.4068   -0.0185 C   0  0  0  0  0
    4.2456    1.2816   -0.0262 Br  0  0  0  0  0
   -1.1050    0.9835   -0.0827 N   0  0  0  0  0
   -2.0127   -0.0412   -0.0607 C   0  0  0  0  0
   -1.3134   -1.2293   -0.0117 C   0  0  0  0  0
   -1.9832   -2.5541    0.0276 C   0  0  0  0  0
   -1.4415   -3.8170    0.0880 C   0  0  0  0  0
   -2.4243   -4.7772    0.1104 N   0  0  0  0  0
   -3.5656   -4.1220    0.0635 C   0  0  0  0  0
   -3.3379   -2.7708    0.0117 N   0  0  0  0  0
   -4.9106   -4.7612    0.0673 C   0  0  0  0  0
   -6.1116   -4.0864    0.0113 C   0  0  0  0  0
   -7.1161   -5.0211    0.0356 N   0  0  0  0  0
   -6.5880   -6.2903    0.1082 C   0  0  0  0  0
   -5.1975   -6.1575    0.1291 C   0  0  0  0  0
   -4.4132   -7.3288    0.2022 C   0  0  0  0  0
   -5.0364   -8.5813    0.2519 C   0  0  0  0  0
   -6.4247   -8.6733    0.2290 C   0  0  0  0  0
   -7.2323   -7.5341    0.1566 C   0  0  0  0  0
   -7.2433  -10.3793    0.2977 Br  0  0  0  0  0
    3.4360   -1.5660    0.0546 H   0  0  0  0  0
    1.2801   -2.7303    0.0659 H   0  0  0  0  0
    1.4364    2.2554   -0.0918 H   0  0  0  0  0
   -1.3353    1.9673   -0.1176 H   0  0  0  0  0
   -3.0708    0.1777   -0.0806 H   0  0  0  0  0
   -0.4032   -4.1104    0.1192 H   0  0  0  0  0
   -4.0522   -2.0624   -0.0293 H   0  0  0  0  0
   -6.3530   -3.0345   -0.0445 H   0  0  0  0  0
   -8.1057   -4.8162    0.0056 H   0  0  0  0  0
   -3.3283   -7.2569    0.2204 H   0  0  0  0  0
   -4.4201   -9.4748    0.3086 H   0  0  0  0  0
   -8.3142   -7.6090    0.1389 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  2  0  0  0
  1 26  1  0  0  0
  2  3  1  0  0  0
  2 27  1  0  0  0
  3 10  1  0  0  0
  3  4  2  0  0  0
  4  8  1  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  5 28  1  0  0  0
  6  7  1  0  0  0
  8  9  1  0  0  0
  8 29  1  0  0  0
  9 10  2  0  0  0
  9 30  1  0  0  0
 10 11  1  0  0  0
 11 12  2  0  0  0
 11 15  1  0  0  0
 12 13  1  0  0  0
 12 31  1  0  0  0
 13 14  2  0  0  0
 14 15  1  0  0  0
 14 16  1  0  0  0
 15 32  1  0  0  0
 16 20  1  0  0  0
 16 17  2  0  0  0
 17 18  1  0  0  0
 17 33  1  0  0  0
 18 19  1  0  0  0
 18 34  1  0  0  0
 19 20  2  0  0  0
 19 24  1  0  0  0
 20 21  1  0  0  0
 21 22  2  0  0  0
 21 35  1  0  0  0
 22 23  1  0  0  0
 22 36  1  0  0  0
 23 24  2  0  0  0
 23 25  1  0  0  0
 24 37  1  0  0  0
M  END

>  <Chemical Name>
Nortopsentin A

>  <PubChem CID>
179268

>  <Formula>
C19H12Br2N4

>  <Molecular Weight>
456.141000

>  <IUPAC Name>
6-bromo-3-[2-(6-bromo-1H-indol-3-yl)-1H-imidazol-5-yl]-1H-indole

>  <XlogP>
5.0

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
C1=CC2=C(C=C1Br)NC=C2C3=CN=C(N3)C4=CNC5=C4C=CC(=C5)Br

>  <Isomeric SMILES>
C1=CC2=C(C=C1Br)NC=C2C3=CN=C(N3)C4=CNC5=C4C=CC(=C5)Br

>  <InChI Std. ID>
InChI=1S/C19H12Br2N4/c20-10-1-3-12-14(7-22-16(12)5-10)18-9-24-19(25-18)15-8-23-17-6-11(21)2-4-13(15)17/h1-9,22-23H,(H,24,25)

>  <InChI Key>
BIGUXWQKCPFOAH-UHFFFAOYSA-N

