
 CHEMBL206551

 51 53  0  0  0  0  0  0  0  0999 V2000
    2.2658   -0.8306    1.2773 C   0  0  0  0  0
    2.2778    0.1338    0.1762 N   0  0  0  0  0
    0.9152    0.3089   -0.3378 C   0  0  0  0  0
    2.8277    1.4420    0.5803 C   0  0  0  0  0
    4.3057    1.3846    0.9977 C   0  0  0  0  0
    4.8912    2.7830    1.2839 C   0  0  0  0  0
    4.1701    3.5240    2.4010 C   0  0  0  0  0
    3.6116    4.7878    2.1454 C   0  0  0  0  0
    2.9323    5.4838    3.1479 C   0  0  0  0  0
    2.8139    4.9262    4.4178 C   0  0  0  0  0
    3.3688    3.6789    4.6941 C   0  0  0  0  0
    4.0442    2.9798    3.6905 C   0  0  0  0  0
    1.9770    5.7820    5.6534 Cl  0  0  0  0  0
    6.3078    2.6724    1.6126 N   0  0  0  0  0
    7.2880    2.8159    0.6569 C   0  0  0  0  0
    7.0282    3.0830   -0.5084 O   0  0  0  0  0
    8.5397    2.5974    1.1906 N   0  0  0  0  0
    9.7798    2.7433    0.5345 C   0  0  0  0  0
   10.9159    2.2266    1.1726 C   0  0  0  0  0
   12.1911    2.3192    0.5836 C   0  0  0  0  0
   13.3320    1.7809    1.2034 C   0  0  0  0  0
   14.5867    1.8761    0.5982 C   0  0  0  0  0
   14.7195    2.5135   -0.6316 C   0  0  0  0  0
   13.5976    3.0561   -1.2594 C   0  0  0  0  0
   12.3289    2.9635   -0.6653 C   0  0  0  0  0
   11.1917    3.4959   -1.2870 C   0  0  0  0  0
    9.9303    3.3852   -0.6933 C   0  0  0  0  0
    3.2833   -1.1048    1.5729 H   0  0  0  0  0
    1.7845   -1.7655    0.9676 H   0  0  0  0  0
    1.7360   -0.4479    2.1569 H   0  0  0  0  0
    0.5094   -0.6460   -0.6900 H   0  0  0  0  0
    0.9102    0.9864   -1.1990 H   0  0  0  0  0
    0.2366    0.7124    0.4233 H   0  0  0  0  0
    2.2199    1.8658    1.3893 H   0  0  0  0  0
    2.7516    2.1305   -0.2717 H   0  0  0  0  0
    4.8872    0.9136    0.1937 H   0  0  0  0  0
    4.4327    0.7476    1.8805 H   0  0  0  0  0
    4.8020    3.3715    0.3617 H   0  0  0  0  0
    3.6989    5.2391    1.1579 H   0  0  0  0  0
    2.5005    6.4572    2.9302 H   0  0  0  0  0
    3.2768    3.2451    5.6863 H   0  0  0  0  0
    4.4662    2.0046    3.9233 H   0  0  0  0  0
    6.5754    2.6680    2.5830 H   0  0  0  0  0
    8.5573    2.1370    2.0865 H   0  0  0  0  0
   10.8166    1.7287    2.1339 H   0  0  0  0  0
   13.2508    1.2767    2.1636 H   0  0  0  0  0
   15.4595    1.4502    1.0863 H   0  0  0  0  0
   15.6949    2.5878   -1.1052 H   0  0  0  0  0
   13.7192    3.5497   -2.2211 H   0  0  0  0  0
   11.2726    4.0020   -2.2466 H   0  0  0  0  0
    9.0837    3.8218   -1.2144 H   0  0  0  0  0
  1  2  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  3 31  1  0  0  0
  3 32  1  0  0  0
  3 33  1  0  0  0
  4  5  1  0  0  0
  4 34  1  0  0  0
  4 35  1  0  0  0
  5  6  1  0  0  0
  5 36  1  0  0  0
  5 37  1  0  0  0
  6 14  1  0  0  0
  6  7  1  0  0  0
  6 38  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 39  1  0  0  0
  9 10  2  0  0  0
  9 40  1  0  0  0
 10 11  1  0  0  0
 10 13  1  0  0  0
 11 12  2  0  0  0
 11 41  1  0  0  0
 12 42  1  0  0  0
 14 15  1  0  0  0
 14 43  1  0  0  0
 15 17  1  0  0  0
 15 16  2  0  0  0
 17 18  1  0  0  0
 17 44  1  0  0  0
 18 27  1  0  0  0
 18 19  2  0  0  0
 19 20  1  0  0  0
 19 45  1  0  0  0
 20 25  1  0  0  0
 20 21  2  0  0  0
 21 22  1  0  0  0
 21 46  1  0  0  0
 22 23  2  0  0  0
 22 47  1  0  0  0
 23 24  1  0  0  0
 23 48  1  0  0  0
 24 25  2  0  0  0
 24 49  1  0  0  0
 25 26  1  0  0  0
 26 27  2  0  0  0
 26 50  1  0  0  0
 27 51  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL206551

>  <PubChem CID>
11648503

>  <Formula>
C22H24ClN3O

>  <Molecular Weight>
381.904000

>  <IUPAC Name>
1-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-naphthalen-2-ylurea

>  <XlogP>
4.7

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CN(C)CCC(C1=CC=C(C=C1)Cl)NC(=O)NC2=CC3=CC=CC=C3C=C2

>  <Isomeric SMILES>
CN(C)CCC(C1=CC=C(C=C1)Cl)NC(=O)NC2=CC3=CC=CC=C3C=C2

>  <InChI Std. ID>
InChI=1S/C22H24ClN3O/c1-26(2)14-13-21(17-7-10-19(23)11-8-17)25-22(27)24-20-12-9-16-5-3-4-6-18(16)15-20/h3-12,15,21H,13-14H2,1-2H3,(H2,24,25,27)

>  <InChI Key>
BNHBYGVFRHEWQT-UHFFFAOYSA-N

