
 CHEMBL328866

 56 59  0  0  0  0  0  0  0  0999 V2000
    1.8303   -0.9078    2.4480 C   0  0  0  0  0
    2.7363   -0.5546    1.4052 O   0  0  0  0  0
    2.8668    0.7754    1.0903 C   0  0  0  0  0
    2.0366    1.7752    1.6211 C   0  0  0  0  0
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    3.1867    3.4625    0.3429 C   0  0  0  0  0
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    3.8807    1.1395    0.1846 C   0  0  0  0  0
    4.8471    0.1767   -0.4265 C   0  0  0  0  0
    5.9156    0.5872   -0.8720 O   0  0  0  0  0
    4.4638   -1.1404   -0.4928 N   0  0  0  0  0
    5.3316   -2.1773   -1.0044 C   0  0  0  0  0
    6.0616   -2.9372    0.0895 C   0  0  0  0  0
    6.4419   -4.2187   -0.6299 C   0  0  0  0  0
    5.2437   -4.5513   -1.4120 N   0  0  0  0  0
    4.5880   -3.2789   -1.7678 C   0  0  0  0  0
    5.5702   -5.3772   -2.5803 C   0  0  0  0  0
    4.3491   -5.8184   -3.3598 C   0  0  0  0  0
    4.1651   -5.4093   -4.6894 C   0  0  0  0  0
    3.0351   -5.8088   -5.4044 C   0  0  0  0  0
    2.0800   -6.6239   -4.8003 C   0  0  0  0  0
    2.2525   -7.0391   -3.4809 C   0  0  0  0  0
    3.3807   -6.6385   -2.7637 C   0  0  0  0  0
    3.4070    5.1012   -0.1687 Cl  0  0  0  0  0
    1.3872    4.1525    1.8199 N   0  0  0  0  0
    0.4869    4.0427    2.8571 C   0  0  0  0  0
    0.2381    3.0425    3.5134 O   0  0  0  0  0
   -0.1881    5.3312    3.1878 C   0  0  0  0  0
   -1.1132    5.4200    4.3820 C   0  0  0  0  0
    0.2258    6.0947    4.4246 C   0  0  0  0  0
    1.8876   -1.9918    2.5844 H   0  0  0  0  0
    0.7981   -0.6660    2.1745 H   0  0  0  0  0
    2.1158   -0.4353    3.3936 H   0  0  0  0  0
    1.2461    1.4977    2.3061 H   0  0  0  0  0
    4.8078    2.7681   -0.8940 H   0  0  0  0  0
    3.6306   -1.4159    0.0197 H   0  0  0  0  0
    6.0759   -1.7283   -1.6753 H   0  0  0  0  0
    5.3998   -3.1482    0.9394 H   0  0  0  0  0
    6.9331   -2.3917    0.4645 H   0  0  0  0  0
    7.3100   -4.0307   -1.2748 H   0  0  0  0  0
    6.6970   -5.0177    0.0729 H   0  0  0  0  0
    4.6073   -3.0494   -2.8394 H   0  0  0  0  0
    3.5362   -3.3362   -1.4624 H   0  0  0  0  0
    6.0935   -6.2857   -2.2543 H   0  0  0  0  0
    6.2640   -4.8450   -3.2452 H   0  0  0  0  0
    4.8982   -4.7686   -5.1742 H   0  0  0  0  0
    2.8991   -5.4816   -6.4318 H   0  0  0  0  0
    1.1996   -6.9334   -5.3568 H   0  0  0  0  0
    1.5064   -7.6715   -3.0077 H   0  0  0  0  0
    3.5027   -6.9567   -1.7305 H   0  0  0  0  0
    1.5581    5.0822    1.4501 H   0  0  0  0  0
   -0.4805    5.9201    2.3238 H   0  0  0  0  0
   -1.2549    4.5348    4.9945 H   0  0  0  0  0
   -1.9996    6.0360    4.2908 H   0  0  0  0  0
    0.2463    7.1768    4.3765 H   0  0  0  0  0
    0.9831    5.6631    5.0707 H   0  0  0  0  0
  1  2  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  2  3  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 34  1  0  0  0
  5  6  2  0  0  0
  5 25  1  0  0  0
  6  7  1  0  0  0
  6 24  1  0  0  0
  7  8  2  0  0  0
  7 35  1  0  0  0
  8  9  1  0  0  0
  9 11  1  0  0  0
  9 10  2  0  0  0
 11 12  1  0  0  0
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 12 16  1  0  0  0
 12 13  1  0  0  0
 12 37  1  0  0  0
 13 14  1  0  0  0
 13 38  1  0  0  0
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 14 15  1  0  0  0
 14 40  1  0  0  0
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 15 17  1  0  0  0
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 17 18  1  0  0  0
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 18 19  2  0  0  0
 18 23  1  0  0  0
 19 20  1  0  0  0
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 20 21  2  0  0  0
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 23 50  1  0  0  0
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 26 27  2  0  0  0
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 30 56  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL328866

>  <PubChem CID>
9802631

>  <Formula>
C23H26ClN3O3

>  <Molecular Weight>
427.929000

>  <IUPAC Name>
N-[(3S)-1-benzylpyrrolidin-3-yl]-5-chloro-4-(cyclopropanecarbonylamino)-2-methoxybenzamide

>  <XlogP>
3.200

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
COC1=CC(=C(C=C1C(=O)NC2CCN(C2)CC3=CC=CC=C3)Cl)NC(=O)C4CC4

>  <Isomeric SMILES>
COC1=CC(=C(C=C1C(=O)N[C@H]2CCN(C2)CC3=CC=CC=C3)Cl)NC(=O)C4CC4

>  <InChI Std. ID>
InChI=1S/C23H26ClN3O3/c1-30-21-12-20(26-22(28)16-7-8-16)19(24)11-18(21)23(29)25-17-9-10-27(14-17)13-15-5-3-2-4-6-15/h2-6,11-12,16-17H,7-10,13-14H2,1H3,(H,25,29)(H,26,28)/t17-/m0/s1

>  <InChI Key>
CPVZPPFHQBIJNB-KRWDZBQOSA-N

