
 CHEMBL146767

 48 49  0  0  0  0  0  0  0  0999 V2000
    7.4130   -1.6115    0.1675 C   0  0  0  0  0
    6.2401   -1.0543    0.9782 C   0  0  0  0  0
    6.6537   -0.9042    2.4433 C   0  0  0  0  0
    5.8227    0.2194    0.3683 N   0  0  0  0  0
    4.6143    0.7813    1.0054 C   0  0  0  0  0
    4.1203    1.9999    0.2000 C   0  0  0  0  0
    2.8659    2.6366    0.8160 C   0  0  0  0  0
    3.0689    2.9017    2.2078 O   0  0  0  0  0
    2.0266    3.4674    2.8879 C   0  0  0  0  0
    0.7448    3.6864    2.3885 C   0  0  0  0  0
   -0.2332    4.2708    3.2005 C   0  0  0  0  0
    0.0545    4.6501    4.5132 C   0  0  0  0  0
    1.3356    4.4268    5.0150 C   0  0  0  0  0
    2.3126    3.8358    4.2039 C   0  0  0  0  0
   -0.9948    5.2244    5.1763 O   0  0  0  0  0
   -0.7649    5.7293    6.4936 C   0  0  0  0  0
   -0.1563    7.1252    6.4420 C   0  0  0  0  0
    0.2111    7.6010    7.7585 N   0  0  0  0  0
   -0.3609    8.6266    8.4533 C   0  0  0  0  0
    0.3291    8.7052    9.6379 C   0  0  0  0  0
    1.2980    7.6900    9.5638 C   0  0  0  0  0
    1.2308    7.0097    8.4142 N   0  0  0  0  0
    0.0889    9.7781   10.9211 Cl  0  0  0  0  0
    5.1763    2.9653    0.1034 O   0  0  0  0  0
    7.1308   -1.7700   -0.8793 H   0  0  0  0  0
    7.7363   -2.5779    0.5700 H   0  0  0  0  0
    8.2740   -0.9337    0.1885 H   0  0  0  0  0
    5.4164   -1.7763    0.9125 H   0  0  0  0  0
    7.4187   -0.1298    2.5660 H   0  0  0  0  0
    7.0635   -1.8448    2.8275 H   0  0  0  0  0
    5.7999   -0.6457    3.0779 H   0  0  0  0  0
    5.6297    0.0550   -0.6216 H   0  0  0  0  0
    4.8742    1.1062    2.0180 H   0  0  0  0  0
    3.8180    0.0308    1.0611 H   0  0  0  0  0
    3.8840    1.6957   -0.8269 H   0  0  0  0  0
    2.0327    1.9337    0.6958 H   0  0  0  0  0
    2.6477    3.5774    0.2961 H   0  0  0  0  0
    0.4675    3.4156    1.3761 H   0  0  0  0  0
   -1.2306    4.4360    2.8001 H   0  0  0  0  0
    1.6215    4.6989    6.0263 H   0  0  0  0  0
    3.3104    3.6689    4.6042 H   0  0  0  0  0
   -0.1975    5.0194    7.1065 H   0  0  0  0  0
   -1.7487    5.7949    6.9751 H   0  0  0  0  0
   -0.8681    7.8328    6.0010 H   0  0  0  0  0
    0.7446    7.1625    5.8203 H   0  0  0  0  0
   -1.1861    9.2024    8.0594 H   0  0  0  0  0
    2.0481    7.4163   10.2940 H   0  0  0  0  0
    6.0030    2.4421    0.1398 H   0  0  0  0  0
  1  2  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  2 28  1  0  0  0
  3 29  1  0  0  0
  3 30  1  0  0  0
  3 31  1  0  0  0
  4  5  1  0  0  0
  4 32  1  0  0  0
  5  6  1  0  0  0
  5 33  1  0  0  0
  5 34  1  0  0  0
  6 24  1  0  0  0
  6  7  1  0  0  0
  6 35  1  0  0  0
  7  8  1  0  0  0
  7 36  1  0  0  0
  7 37  1  0  0  0
  8  9  1  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
 10 11  1  0  0  0
 10 38  1  0  0  0
 11 12  2  0  0  0
 11 39  1  0  0  0
 12 13  1  0  0  0
 12 15  1  0  0  0
 13 14  2  0  0  0
 13 40  1  0  0  0
 14 41  1  0  0  0
 15 16  1  0  0  0
 16 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  1  0  0  0
 18 22  1  0  0  0
 19 20  2  0  0  0
 19 46  1  0  0  0
 20 21  1  0  0  0
 20 23  1  0  0  0
 21 22  2  0  0  0
 21 47  1  0  0  0
 24 48  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL146767

>  <PubChem CID>
20205303

>  <Formula>
C17H24ClN3O3

>  <Molecular Weight>
353.847000

>  <IUPAC Name>
1-[4-[2-(4-chloropyrazol-1-yl)ethoxy]phenoxy]-3-(propan-2-ylamino)propan-2-ol

>  <XlogP>
2.2

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC(C)NCC(COC1=CC=C(C=C1)OCCN2C=C(C=N2)Cl)O

>  <Isomeric SMILES>
CC(C)NCC(COC1=CC=C(C=C1)OCCN2C=C(C=N2)Cl)O

>  <InChI Std. ID>
InChI=1S/C17H24ClN3O3/c1-13(2)19-10-15(22)12-24-17-5-3-16(4-6-17)23-8-7-21-11-14(18)9-20-21/h3-6,9,11,13,15,19,22H,7-8,10,12H2,1-2H3

>  <InChI Key>
AWBKRUITZVWEQE-UHFFFAOYSA-N

