
 CHEMBL350151

 88 92  0  0  0  0  0  0  0  0999 V2000
    5.8105    2.8232   -3.7124 C   0  0  0  0  0
    5.1135    2.4605   -2.4781 N   0  0  0  0  0
    5.6035    1.1738   -1.9869 C   0  0  0  0  0
    5.2478    3.5493   -1.4848 C   0  0  0  0  0
    4.4238    3.2975   -0.2099 C   0  0  0  0  0
    3.2111    3.5274   -0.2137 O   0  0  0  0  0
    5.0823    2.8189    0.9280 N   0  0  0  0  0
    4.2532    2.3186    2.0362 C   0  0  0  0  0
    4.1781    0.8016    2.1001 C   0  0  0  0  0
    5.1439    0.0863    2.8330 C   0  0  0  0  0
    5.1095   -1.3066    2.9032 C   0  0  0  0  0
    4.1040   -2.0078    2.2485 C   0  0  0  0  0
    3.1262   -1.3168    1.5324 C   0  0  0  0  0
    3.1487    0.0819    1.4639 C   0  0  0  0  0
    2.2205    0.8162    0.7785 O   0  0  0  0  0
    0.9343    0.2327    0.6139 C   0  0  0  0  0
    6.5408    2.7799    1.0920 C   0  0  0  0  0
    7.2289    4.1448    1.3768 C   0  0  0  0  0
    6.7313    4.7602    2.7032 C   0  0  0  0  0
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    8.4939    6.4850    3.4452 C   0  0  0  0  0
    8.5791    7.8492    3.5048 N   0  0  0  0  0
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    8.6861    3.9205    1.4311 N   0  0  0  0  0
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   10.8477    7.1343   -3.0443 N   0  0  0  0  0
    9.4694    6.6443   -3.2889 C   0  0  0  0  0
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   13.4290    7.1470   -6.4446 C   0  0  0  0  0
   12.0738    7.4083   -6.5853 C   0  0  0  0  0
   11.2350    7.4084   -5.4615 C   0  0  0  0  0
    5.3962    3.7454   -4.1342 H   0  0  0  0  0
    5.6829    2.0451   -4.4734 H   0  0  0  0  0
    6.8849    2.9711   -3.5498 H   0  0  0  0  0
    5.4519    0.3945   -2.7425 H   0  0  0  0  0
    5.0523    0.8438   -1.1016 H   0  0  0  0  0
    6.6721    1.2028   -1.7471 H   0  0  0  0  0
    4.8540    4.4819   -1.9109 H   0  0  0  0  0
    6.2923    3.7443   -1.2612 H   0  0  0  0  0
    3.2421    2.7376    1.9866 H   0  0  0  0  0
    4.6711    2.6988    2.9759 H   0  0  0  0  0
    5.9312    0.6119    3.3670 H   0  0  0  0  0
    5.8669   -1.8433    3.4688 H   0  0  0  0  0
    4.0770   -3.0935    2.2950 H   0  0  0  0  0
    2.3623   -1.8963    1.0243 H   0  0  0  0  0
    0.9602   -0.5879   -0.1096 H   0  0  0  0  0
    0.2662    1.0023    0.2153 H   0  0  0  0  0
    0.5240   -0.1013    1.5734 H   0  0  0  0  0
    6.9784    2.3394    0.1921 H   0  0  0  0  0
    6.7943    2.0863    1.8990 H   0  0  0  0  0
    7.0089    4.8436    0.5646 H   0  0  0  0  0
    7.0207    4.1190    3.5462 H   0  0  0  0  0
    5.6367    4.8018    2.7065 H   0  0  0  0  0
    9.3343    5.8723    3.7425 H   0  0  0  0  0
    9.3867    8.3699    3.8168 H   0  0  0  0  0
    7.7174   10.5610    3.2820 H   0  0  0  0  0
    5.4331   11.0983    2.4560 H   0  0  0  0  0
    3.8763    9.2938    1.8060 H   0  0  0  0  0
    4.5594    6.9207    1.9634 H   0  0  0  0  0
    9.0742    3.5481    2.2892 H   0  0  0  0  0
    8.3151    4.2478   -1.2028 H   0  0  0  0  0
    9.9999    4.3814   -1.6214 H   0  0  0  0  0
   10.8936    6.4661    0.3471 H   0  0  0  0  0
   10.2284    7.8995   -0.3790 H   0  0  0  0  0
   12.2709    7.3930   -1.4908 H   0  0  0  0  0
   11.8128    5.7049   -1.8029 H   0  0  0  0  0
    8.9712    7.2433   -4.0578 H   0  0  0  0  0
    9.5056    5.6054   -3.6396 H   0  0  0  0  0
    8.3371    7.7964   -1.8528 H   0  0  0  0  0
    7.5940    6.2707   -2.2570 H   0  0  0  0  0
   13.5638    6.6983   -3.1036 H   0  0  0  0  0
   15.0032    6.7061   -5.0505 H   0  0  0  0  0
   14.0827    7.1492   -7.3119 H   0  0  0  0  0
   11.6603    7.6243   -7.5669 H   0  0  0  0  0
   10.1942    7.6587   -5.6364 H   0  0  0  0  0
  1  2  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL350151

>  <PubChem CID>
10627355

>  <Formula>
C35H44N6O3

>  <Molecular Weight>
596.776000

>  <IUPAC Name>
N-[1-[[2-(dimethylamino)acetyl]-[(2-methoxyphenyl)methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]-2-(4-phenylpiperazin-1-yl)acetamide

>  <XlogP>
4.4

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CN(C)CC(=O)N(CC1=CC=CC=C1OC)CC(CC2=CNC3=CC=CC=C32)NC(=O)CN4CCN(CC4)C5=CC=CC=C5

>  <Isomeric SMILES>
CN(C)CC(=O)N(CC1=CC=CC=C1OC)CC(CC2=CNC3=CC=CC=C32)NC(=O)CN4CCN(CC4)C5=CC=CC=C5

>  <InChI Std. ID>
InChI=1S/C35H44N6O3/c1-38(2)26-35(43)41(23-27-11-7-10-16-33(27)44-3)24-29(21-28-22-36-32-15-9-8-14-31(28)32)37-34(42)25-39-17-19-40(20-18-39)30-12-5-4-6-13-30/h4-16,22,29,36H,17-21,23-26H2,1-3H3,(H,37,42)

>  <InChI Key>
BPOJDIXXCVFYFB-UHFFFAOYSA-N

