
 CP 135807

 47 50  0  0  0  0  0  0  0  0999 V2000
    3.4985    0.1473    2.1316 C   0  0  0  0  0
    3.6608   -1.2933    1.9833 N   0  0  0  0  0
    3.7204   -1.9728    3.2782 C   0  0  0  0  0
    3.3841   -3.4026    2.9143 C   0  0  0  0  0
    2.2502   -3.2257    1.9231 C   0  0  0  0  0
    2.5739   -1.9160    1.1863 C   0  0  0  0  0
    3.0738   -2.1503   -0.2536 C   0  0  0  0  0
    2.0167   -2.6551   -1.1932 C   0  0  0  0  0
    1.7901   -3.9710   -1.5491 C   0  0  0  0  0
    0.7584   -4.0054   -2.4473 N   0  0  0  0  0
    0.3116   -2.7324   -2.7063 C   0  0  0  0  0
    1.0809   -1.8648   -1.9344 C   0  0  0  0  0
    0.8249   -0.4804   -2.0268 C   0  0  0  0  0
   -0.1592    0.0129   -2.8987 C   0  0  0  0  0
   -0.9251   -0.9030   -3.6305 C   0  0  0  0  0
   -0.7029   -2.2850   -3.5580 C   0  0  0  0  0
   -0.4499    1.3924   -2.9971 N   0  0  0  0  0
    0.4217    2.4890   -2.8139 C   0  0  0  0  0
   -0.0651    3.7893   -2.6553 C   0  0  0  0  0
    0.8028    4.8614   -2.4106 C   0  0  0  0  0
    2.1647    4.6142   -2.3371 C   0  0  0  0  0
    2.5929    3.3095   -2.5090 C   0  0  0  0  0
    1.7588    2.2692   -2.7354 N   0  0  0  0  0
   -1.4846    4.0541   -2.7443 N   0  0  0  0  0
   -1.9669    4.8559   -1.9316 O   0  0  0  0  0
   -2.1157    3.4964   -3.6560 O   0  0  0  0  0
    3.4845    0.6380    1.1531 H   0  0  0  0  0
    4.3418    0.5695    2.6885 H   0  0  0  0  0
    2.5740    0.4082    2.6604 H   0  0  0  0  0
    2.9763   -1.5819    3.9827 H   0  0  0  0  0
    4.7127   -1.8944    3.7315 H   0  0  0  0  0
    4.2380   -3.8925    2.4300 H   0  0  0  0  0
    3.0894   -4.0002    3.7812 H   0  0  0  0  0
    2.1475   -4.1019    1.2781 H   0  0  0  0  0
    1.3087   -3.1060    2.4757 H   0  0  0  0  0
    1.6703   -1.2920    1.1736 H   0  0  0  0  0
    3.9178   -2.8542   -0.2486 H   0  0  0  0  0
    3.4700   -1.2098   -0.6610 H   0  0  0  0  0
    2.2819   -4.8849   -1.2401 H   0  0  0  0  0
    0.3864   -4.8416   -2.8750 H   0  0  0  0  0
    1.4083    0.1989   -1.4136 H   0  0  0  0  0
   -1.7131   -0.5476   -4.2924 H   0  0  0  0  0
   -1.2959   -2.9757   -4.1488 H   0  0  0  0  0
   -1.1470    1.5966   -3.7125 H   0  0  0  0  0
    0.4266    5.8734   -2.2796 H   0  0  0  0  0
    2.8778    5.4092   -2.1515 H   0  0  0  0  0
    3.6482    3.0505   -2.4638 H   0  0  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  2  6  1  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
  3 30  1  0  0  0
  3 31  1  0  0  0
  4  5  1  0  0  0
  4 32  1  0  0  0
  4 33  1  0  0  0
  5  6  1  0  0  0
  5 34  1  0  0  0
  5 35  1  0  0  0
  6  7  1  0  0  0
  6 36  1  0  0  0
  7  8  1  0  0  0
  7 37  1  0  0  0
  7 38  1  0  0  0
  8 12  1  0  0  0
  8  9  2  0  0  0
  9 10  1  0  0  0
  9 39  1  0  0  0
 10 11  1  0  0  0
 10 40  1  0  0  0
 11 12  2  0  0  0
 11 16  1  0  0  0
 12 13  1  0  0  0
 13 14  2  0  0  0
 13 41  1  0  0  0
 14 15  1  0  0  0
 14 17  1  0  0  0
 15 16  2  0  0  0
 15 42  1  0  0  0
 16 43  1  0  0  0
 17 18  1  0  0  0
 17 44  1  0  0  0
 18 19  2  0  0  0
 18 23  1  0  0  0
 19 20  1  0  0  0
 19 24  1  0  0  0
 20 21  2  0  0  0
 20 45  1  0  0  0
 21 22  1  0  0  0
 21 46  1  0  0  0
 22 23  2  0  0  0
 22 47  1  0  0  0
 24 26  1  0  0  0
 24 25  2  0  0  0
M  CHG  2  24   1  26  -1
M  END

>  <Chemical Name>
CP 135807

>  <PubChem CID>
5487088

>  <Formula>
C19H21N5O2

>  <Molecular Weight>
351.410000

>  <IUPAC Name>
3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-N-(3-nitropyridin-2-yl)-1H-indol-5-amine

>  <XlogP>
4.1

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CN1CCCC1CC2=CNC3=C2C=C(C=C3)NC4=C(C=CC=N4)[N+](=O)[O-]

>  <Isomeric SMILES>
CN1CCC[C@@H]1CC2=CNC3=C2C=C(C=C3)NC4=C(C=CC=N4)[N+](=O)[O-]

>  <InChI Std. ID>
InChI=1S/C19H21N5O2/c1-23-9-3-4-15(23)10-13-12-21-17-7-6-14(11-16(13)17)22-19-18(24(25)26)5-2-8-20-19/h2,5-8,11-12,15,21H,3-4,9-10H2,1H3,(H,20,22)/t15-/m1/s1

>  <InChI Key>
YPFIYPNOWVPAPR-OAHLLOKOSA-N

