
 CHEMBL1223709

 68 72  0  0  0  0  0  0  0  0999 V2000
   -2.2235   -3.3784   -2.1295 C   0  0  0  0  0
   -1.9360   -1.9090   -2.2989 C   0  0  0  0  0
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    7.3896   -2.7138  -10.2347 C   0  0  0  0  0
    6.1376   -2.6883   -9.6239 C   0  0  0  0  0
    5.5400   -1.4649   -9.3273 C   0  0  0  0  0
    6.1945   -0.2720   -9.6461 C   0  0  0  0  0
    8.1300   -4.2258  -10.5935 Cl  0  0  0  0  0
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   -1.8454    0.8335   -2.6286 H   0  0  0  0  0
   -0.8271    2.9204   -3.3487 H   0  0  0  0  0
    1.2358    2.9464   -4.6086 H   0  0  0  0  0
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    2.7240   -0.2199   -6.0300 H   0  0  0  0  0
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    3.6063    1.4142   -7.3411 H   0  0  0  0  0
    3.6990    3.8009   -6.9061 H   0  0  0  0  0
    2.8465    3.6749   -5.4342 H   0  0  0  0  0
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    3.8491    2.4750   -3.4597 H   0  0  0  0  0
    4.8283    0.1381   -5.1595 H   0  0  0  0  0
    3.8582    0.0339   -3.7055 H   0  0  0  0  0
    5.8580    1.6664   -6.5578 H   0  0  0  0  0
    6.8340    2.5565   -5.3926 H   0  0  0  0  0
    6.3824    4.6928   -6.6230 H   0  0  0  0  0
    5.5185    3.7846   -7.8665 H   0  0  0  0  0
    8.4596    3.3664   -7.1528 H   0  0  0  0  0
    7.8153    4.3057   -8.5060 H   0  0  0  0  0
    7.4809    1.3705   -8.0526 H   0  0  0  0  0
   10.4553    4.1333  -12.4014 H   0  0  0  0  0
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    8.9253   -0.5826  -12.9978 H   0  0  0  0  0
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    4.5577   -1.4385   -8.8609 H   0  0  0  0  0
    5.6782    0.6662   -9.4458 H   0  0  0  0  0
  1  2  1  0  0  0
  1 37  1  0  0  0
  1 38  1  0  0  0
  1 39  1  0  0  0
  2  4  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1223709

>  <PubChem CID>
49865653

>  <Formula>
C29H32ClN5O

>  <Molecular Weight>
502.059000

>  <IUPAC Name>
N-[3-[1-[3-[[1-(3-chlorophenyl)benzimidazol-2-yl]amino]propyl]piperidin-4-yl]phenyl]acetamide

>  <XlogP>
5.9

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC(=O)NC1=CC=CC(=C1)C2CCN(CC2)CCCNC3=NC4=CC=CC=C4N3C5=CC(=CC=C5)Cl

>  <Isomeric SMILES>
CC(=O)NC1=CC=CC(=C1)C2CCN(CC2)CCCNC3=NC4=CC=CC=C4N3C5=CC(=CC=C5)Cl

>  <InChI Std. ID>
InChI=1S/C29H32ClN5O/c1-21(36)32-25-9-4-7-23(19-25)22-13-17-34(18-14-22)16-6-15-31-29-33-27-11-2-3-12-28(27)35(29)26-10-5-8-24(30)20-26/h2-5,7-12,19-20,22H,6,13-18H2,1H3,(H,31,33)(H,32,36)

>  <InChI Key>
AKSZOVIZULWYMI-UHFFFAOYSA-N

