
 CHEMBL149422

 48 49  0  0  0  0  0  0  0  0999 V2000
    7.0565    8.6523    1.3148 C   0  0  0  0  0
    7.5136    7.2004    1.1392 C   0  0  0  0  0
    8.8081    6.9773    1.9234 C   0  0  0  0  0
    6.4116    6.3260    1.5757 N   0  0  0  0  0
    6.6788    4.8986    1.3438 C   0  0  0  0  0
    5.5198    3.9904    1.7992 C   0  0  0  0  0
    4.2636    4.1481    0.9322 C   0  0  0  0  0
    3.1794    3.3962    1.4984 O   0  0  0  0  0
    2.3279    4.0509    2.3447 C   0  0  0  0  0
    1.1377    3.3771    2.6159 C   0  0  0  0  0
    0.1818    3.9401    3.4656 C   0  0  0  0  0
    0.4026    5.1832    4.0604 C   0  0  0  0  0
    1.6008    5.8485    3.8069 C   0  0  0  0  0
    2.5604    5.2831    2.9551 C   0  0  0  0  0
   -0.6174    5.6212    4.8568 O   0  0  0  0  0
   -0.5376    6.9335    5.4166 C   0  0  0  0  0
   -1.0110    7.9808    4.4146 C   0  0  0  0  0
   -0.9213    9.3226    4.9444 N   0  0  0  0  0
    0.1283   10.1838    4.7935 C   0  0  0  0  0
   -0.2491   11.3205    5.4678 C   0  0  0  0  0
   -1.4967   11.1695    6.0162 N   0  0  0  0  0
   -1.8809    9.9594    5.6770 C   0  0  0  0  0
    5.9536    2.6223    1.7300 O   0  0  0  0  0
    6.1489    8.8550    0.7355 H   0  0  0  0  0
    7.8294    9.3463    0.9677 H   0  0  0  0  0
    6.8459    8.8819    2.3657 H   0  0  0  0  0
    7.7081    7.0359    0.0720 H   0  0  0  0  0
    8.6390    7.0462    3.0036 H   0  0  0  0  0
    9.5567    7.7301    1.6532 H   0  0  0  0  0
    9.2482    5.9993    1.7066 H   0  0  0  0  0
    5.5746    6.6043    1.0657 H   0  0  0  0  0
    7.5700    4.5847    1.8987 H   0  0  0  0  0
    6.8905    4.7142    0.2831 H   0  0  0  0  0
    5.2951    4.1832    2.8540 H   0  0  0  0  0
    4.4505    3.7003   -0.0516 H   0  0  0  0  0
    3.9757    5.1878    0.7461 H   0  0  0  0  0
    0.9462    2.4090    2.1596 H   0  0  0  0  0
   -0.7430    3.4028    3.6614 H   0  0  0  0  0
    1.8375    6.8067    4.2563 H   0  0  0  0  0
    3.4851    5.8320    2.8080 H   0  0  0  0  0
    0.4545    7.1474    5.8306 H   0  0  0  0  0
   -1.2139    6.9393    6.2805 H   0  0  0  0  0
   -2.0526    7.7957    4.1269 H   0  0  0  0  0
   -0.4266    7.9475    3.4881 H   0  0  0  0  0
    1.0232    9.9334    4.2408 H   0  0  0  0  0
    0.3088   12.2417    5.5873 H   0  0  0  0  0
   -2.8284    9.5047    5.9368 H   0  0  0  0  0
    5.1794    2.0833    1.9811 H   0  0  0  0  0
  1  2  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  2 27  1  0  0  0
  3 28  1  0  0  0
  3 29  1  0  0  0
  3 30  1  0  0  0
  4  5  1  0  0  0
  4 31  1  0  0  0
  5  6  1  0  0  0
  5 32  1  0  0  0
  5 33  1  0  0  0
  6 23  1  0  0  0
  6  7  1  0  0  0
  6 34  1  0  0  0
  7  8  1  0  0  0
  7 35  1  0  0  0
  7 36  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 37  1  0  0  0
 11 12  2  0  0  0
 11 38  1  0  0  0
 12 13  1  0  0  0
 12 15  1  0  0  0
 13 14  2  0  0  0
 13 39  1  0  0  0
 14 40  1  0  0  0
 15 16  1  0  0  0
 16 17  1  0  0  0
 16 41  1  0  0  0
 16 42  1  0  0  0
 17 18  1  0  0  0
 17 43  1  0  0  0
 17 44  1  0  0  0
 18 19  1  0  0  0
 18 22  1  0  0  0
 19 20  2  0  0  0
 19 45  1  0  0  0
 20 21  1  0  0  0
 20 46  1  0  0  0
 21 22  2  0  0  0
 22 47  1  0  0  0
 23 48  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL149422

>  <PubChem CID>
20205237

>  <Formula>
C17H25N3O3

>  <Molecular Weight>
319.405000

>  <IUPAC Name>
1-[4-(2-imidazol-1-ylethoxy)phenoxy]-3-(propan-2-ylamino)propan-2-ol

>  <XlogP>
1.600

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC(C)NCC(COC1=CC=C(C=C1)OCCN2C=CN=C2)O

>  <Isomeric SMILES>
CC(C)NCC(COC1=CC=C(C=C1)OCCN2C=CN=C2)O

>  <InChI Std. ID>
InChI=1S/C17H25N3O3/c1-14(2)19-11-15(21)12-23-17-5-3-16(4-6-17)22-10-9-20-8-7-18-13-20/h3-8,13-15,19,21H,9-12H2,1-2H3

>  <InChI Key>
HMGFXYKUKPTNFP-UHFFFAOYSA-N

