
 CHEMBL2170443

 76 78  0  0  0  0  0  0  0  0999 V2000
   11.6892    1.7280   -5.4922 C   0  0  0  0  0
   10.5397    1.2548   -4.5887 C   0  0  0  0  0
    9.9976   -0.1154   -5.0417 C   0  0  0  0  0
   10.9256   -1.2719   -4.6795 C   0  0  0  0  0
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   11.8806    0.1769   -2.8562 C   0  0  0  0  0
   10.9506    1.2767   -3.1651 N   0  0  0  0  0
    9.7732    1.3251   -2.2728 C   0  0  0  0  0
   10.1223    1.5179   -0.7902 C   0  0  0  0  0
    8.8597    1.6770    0.0613 C   0  0  0  0  0
    9.2435    1.7920    1.4670 N   0  0  0  0  0
    8.0814    1.9129    2.3413 C   0  0  0  0  0
    8.5154    2.2041    3.7588 C   0  0  0  0  0
    8.5121    3.5170    4.2472 C   0  0  0  0  0
    8.9379    3.7923    5.5494 C   0  0  0  0  0
    9.3744    2.7602    6.3909 C   0  0  0  0  0
    9.4041    1.4504    5.8928 C   0  0  0  0  0
    8.9783    1.1753    4.5903 C   0  0  0  0  0
    9.8413    3.0604    7.7959 C   0  0  0  0  0
   11.2994    3.1310    7.8609 N   0  0  0  0  0
   11.7535    3.5826    9.1765 C   0  0  0  0  0
   13.2832    3.6644    9.2025 C   0  0  0  0  0
   13.7865    4.1706   10.5644 C   0  0  0  0  0
   15.2504    4.0849   10.7248 N   0  0  0  0  0
   16.0055    4.9112    9.7695 C   0  0  0  0  0
   15.9647    6.4091   10.0719 C   0  0  0  0  0
   16.4387    6.6912   11.4919 C   0  0  0  0  0
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   15.6575    4.3429   12.1250 C   0  0  0  0  0
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   12.5357    1.0355   -5.5032 H   0  0  0  0  0
    9.7404    1.9936   -4.7355 H   0  0  0  0  0
    9.8240   -0.1141   -6.1244 H   0  0  0  0  0
    9.0195   -0.2899   -4.5769 H   0  0  0  0  0
   10.4278   -2.2269   -4.8836 H   0  0  0  0  0
   11.8200   -1.2418   -5.3132 H   0  0  0  0  0
   10.4841   -1.4572   -2.5753 H   0  0  0  0  0
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   12.1849    0.1953   -1.8049 H   0  0  0  0  0
   12.8188    0.3419   -3.3995 H   0  0  0  0  0
    9.1500    0.4303   -2.3822 H   0  0  0  0  0
    9.1505    2.1784   -2.5723 H   0  0  0  0  0
   10.7641    2.4011   -0.6744 H   0  0  0  0  0
   10.6807    0.6527   -0.4150 H   0  0  0  0  0
    8.2120    0.8040   -0.0796 H   0  0  0  0  0
    8.3069    2.5680   -0.2588 H   0  0  0  0  0
    9.8451    2.6048    1.5976 H   0  0  0  0  0
    7.4955    0.9850    2.3300 H   0  0  0  0  0
    7.4144    2.7137    1.9974 H   0  0  0  0  0
    8.1830    4.3366    3.6135 H   0  0  0  0  0
    8.9288    4.8210    5.9029 H   0  0  0  0  0
    9.7731    0.6396    6.5174 H   0  0  0  0  0
    9.0238    0.1538    4.2174 H   0  0  0  0  0
    9.4671    2.2796    8.4692 H   0  0  0  0  0
    9.3912    4.0052    8.1257 H   0  0  0  0  0
   11.6338    3.7669    7.1377 H   0  0  0  0  0
   11.4126    2.8823    9.9481 H   0  0  0  0  0
   11.3334    4.5700    9.4036 H   0  0  0  0  0
   13.6124    4.3387    8.4035 H   0  0  0  0  0
   13.7082    2.6741    8.9956 H   0  0  0  0  0
   13.3176    3.5418   11.3332 H   0  0  0  0  0
   13.4244    5.1920   10.7320 H   0  0  0  0  0
   15.6750    4.7358    8.7408 H   0  0  0  0  0
   17.0515    4.5807    9.7695 H   0  0  0  0  0
   16.6026    6.9454    9.3602 H   0  0  0  0  0
   14.9481    6.7958    9.9367 H   0  0  0  0  0
   17.5123    6.4807   11.5701 H   0  0  0  0  0
   16.3081    7.7541   11.7255 H   0  0  0  0  0
   16.0929    5.9794   13.4951 H   0  0  0  0  0
   14.6343    6.2049   12.5452 H   0  0  0  0  0
   14.9493    3.8426   12.7995 H   0  0  0  0  0
   17.8328    4.1193   11.8386 H   0  0  0  0  0
   16.9760    2.6107   12.1925 H   0  0  0  0  0
   17.2667    3.7868   13.4771 H   0  0  0  0  0
  1  2  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL2170443

>  <PubChem CID>
71455186

>  <Formula>
C26H46N4

>  <Molecular Weight>
414.682000

>  <IUPAC Name>
3-[(2S)-2-methylpiperidin-1-yl]-N-[[4-[[3-[(2S)-2-methylpiperidin-1-yl]propylamino]methyl]phenyl]methyl]propan-1-amine

>  <XlogP>
4.0

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1CCCCN1CCCNCC2=CC=C(C=C2)CNCCCN3CCCCC3C

>  <Isomeric SMILES>
C[C@H]1CCCCN1CCCNCC2=CC=C(C=C2)CNCCCN3CCCC[C@@H]3C

>  <InChI Std. ID>
InChI=1S/C26H46N4/c1-23-9-3-5-17-29(23)19-7-15-27-21-25-11-13-26(14-12-25)22-28-16-8-20-30-18-6-4-10-24(30)2/h11-14,23-24,27-28H,3-10,15-22H2,1-2H3/t23-,24-/m0/s1

>  <InChI Key>
CAAWJPKOKADKRS-ZEQRLZLVSA-N

