
 CHEMBL319079

 56 59  0  0  0  0  0  0  0  0999 V2000
    1.6587   -0.1943    2.3910 C   0  0  0  0  0
    2.9544    0.0132    1.8289 O   0  0  0  0  0
    3.1634    1.2061    1.1782 C   0  0  0  0  0
    2.3795    2.3420    1.4198 C   0  0  0  0  0
    2.5980    3.5430    0.7332 C   0  0  0  0  0
    3.6590    3.6028   -0.1839 C   0  0  0  0  0
    4.4753    2.4934   -0.4088 C   0  0  0  0  0
    4.2230    1.2837    0.2597 C   0  0  0  0  0
    5.1071    0.1303   -0.0966 C   0  0  0  0  0
    6.2326    0.3283   -0.5403 O   0  0  0  0  0
    4.5516   -1.1204    0.0364 N   0  0  0  0  0
    5.2840   -2.3371   -0.2294 C   0  0  0  0  0
    5.9276   -2.9218    1.0134 C   0  0  0  0  0
    6.1447   -4.3652    0.6009 C   0  0  0  0  0
    4.9202   -4.7222   -0.1350 N   0  0  0  0  0
    4.3936   -3.4800   -0.7321 C   0  0  0  0  0
    5.1425   -5.7552   -1.1587 C   0  0  0  0  0
    5.6482   -7.0823   -0.6316 C   0  0  0  0  0
    6.5201   -7.8525   -1.4165 C   0  0  0  0  0
    6.9975   -9.0808   -0.9559 C   0  0  0  0  0
    6.6066   -9.5553    0.2943 C   0  0  0  0  0
    5.7194   -8.8160    1.0725 C   0  0  0  0  0
    5.2310   -7.5943    0.6054 C   0  0  0  0  0
    3.9760    5.0483   -1.0834 Cl  0  0  0  0  0
    1.7882    4.6880    0.9256 N   0  0  0  0  0
    0.6806    4.8056    1.7413 C   0  0  0  0  0
    0.2012    3.9437    2.4658 O   0  0  0  0  0
    0.0635    6.1653    1.7035 C   0  0  0  0  0
   -1.1996    6.4570    2.4830 C   0  0  0  0  0
    0.1083    7.0287    2.9424 C   0  0  0  0  0
    1.6064   -1.2317    2.7329 H   0  0  0  0  0
    0.8762   -0.0494    1.6380 H   0  0  0  0  0
    1.4954    0.4464    3.2636 H   0  0  0  0  0
    1.5977    2.2929    2.1634 H   0  0  0  0  0
    5.2921    2.5553   -1.1256 H   0  0  0  0  0
    3.6937   -1.1905    0.5753 H   0  0  0  0  0
    6.0651   -2.1358   -0.9741 H   0  0  0  0  0
    5.2504   -2.8617    1.8769 H   0  0  0  0  0
    6.8603   -2.4173    1.2798 H   0  0  0  0  0
    7.0373   -4.4351   -0.0317 H   0  0  0  0  0
    6.2871   -5.0032    1.4789 H   0  0  0  0  0
    4.3746   -3.4854   -1.8279 H   0  0  0  0  0
    3.3575   -3.3539   -0.3934 H   0  0  0  0  0
    5.8467   -5.3764   -1.9124 H   0  0  0  0  0
    4.1962   -5.9587   -1.6766 H   0  0  0  0  0
    6.8346   -7.4994   -2.3971 H   0  0  0  0  0
    7.6775   -9.6647   -1.5704 H   0  0  0  0  0
    6.9883  -10.5046    0.6597 H   0  0  0  0  0
    5.4098   -9.1840    2.0466 H   0  0  0  0  0
    4.5345   -7.0285    1.2212 H   0  0  0  0  0
    2.0548    5.5044    0.3838 H   0  0  0  0  0
    0.1465    6.6770    0.7501 H   0  0  0  0  0
   -1.6398    5.6576    3.0745 H   0  0  0  0  0
   -1.9275    7.1239    2.0401 H   0  0  0  0  0
    0.2685    8.0923    2.8170 H   0  0  0  0  0
    0.5472    6.6178    3.8446 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
 11 36  1  0  0  0
 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
 13 39  1  0  0  0
 14 15  1  0  0  0
 14 40  1  0  0  0
 14 41  1  0  0  0
 15 16  1  0  0  0
 15 17  1  0  0  0
 16 42  1  0  0  0
 16 43  1  0  0  0
 17 18  1  0  0  0
 17 44  1  0  0  0
 17 45  1  0  0  0
 18 19  2  0  0  0
 18 23  1  0  0  0
 19 20  1  0  0  0
 19 46  1  0  0  0
 20 21  2  0  0  0
 20 47  1  0  0  0
 21 22  1  0  0  0
 21 48  1  0  0  0
 22 23  2  0  0  0
 22 49  1  0  0  0
 23 50  1  0  0  0
 25 26  1  0  0  0
 25 51  1  0  0  0
 26 28  1  0  0  0
 26 27  2  0  0  0
 28 30  1  0  0  0
 28 29  1  0  0  0
 28 52  1  0  0  0
 29 30  1  0  0  0
 29 53  1  0  0  0
 29 54  1  0  0  0
 30 55  1  0  0  0
 30 56  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL319079

>  <PubChem CID>
10693793

>  <Formula>
C23H26ClN3O3

>  <Molecular Weight>
427.929000

>  <IUPAC Name>
N-[(3R)-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-/m1/s1

>  <InChI Key>
CPVZPPFHQBIJNB-QGZVFWFLSA-N

