
 CHEMBL293918

 60 63  0  0  0  0  0  0  0  0999 V2000
    1.5784    3.9570    3.9261 C   0  0  0  0  0
    1.1259    5.2941    3.3421 C   0  0  0  0  0
    1.6189    6.4660    4.1940 C   0  0  0  0  0
    1.5303    5.4064    1.9419 N   0  0  0  0  0
    0.7566    5.1138    0.8431 C   0  0  0  0  0
   -0.5631    4.6561    0.7051 C   0  0  0  0  0
   -1.0445    4.4399   -0.5905 C   0  0  0  0  0
   -0.2446    4.6809   -1.7043 C   0  0  0  0  0
    1.0689    5.1356   -1.5517 C   0  0  0  0  0
    1.5802    5.3463   -0.2556 C   0  0  0  0  0
    2.8393    5.7263    0.2922 C   0  0  0  0  0
    2.8034    5.7435    1.6414 N   0  0  0  0  0
    4.0804    5.9936   -0.4522 C   0  0  0  0  0
    4.1344    6.0436   -1.6781 O   0  0  0  0  0
    5.1854    6.1261    0.3576 N   0  0  0  0  0
    6.5345    6.2018   -0.1491 C   0  0  0  0  0
    7.1991    7.5668    0.0969 C   0  0  0  0  0
    7.2300    8.0281    1.5067 N   0  0  0  0  0
    8.0588    7.1710    2.3874 C   0  0  0  0  0
    9.5387    7.5903    2.5800 C   0  0  0  0  0
   10.0401    8.3698    1.4496 N   0  0  0  0  0
    9.2325    9.5489    1.1179 C   0  0  0  0  0
    7.7566    9.4137    1.5606 C   0  0  0  0  0
   11.3214    8.3110    0.9101 C   0  0  0  0  0
   11.7823    9.2234    0.2217 O   0  0  0  0  0
   12.1860    7.1242    1.1279 C   0  0  0  0  0
   13.5493    7.3377    1.3688 C   0  0  0  0  0
   14.4158    6.2532    1.5115 C   0  0  0  0  0
   13.9247    4.9518    1.4062 C   0  0  0  0  0
   12.5727    4.7344    1.1382 C   0  0  0  0  0
   11.7050    5.8185    0.9797 C   0  0  0  0  0
    1.2196    3.1204    3.3161 H   0  0  0  0  0
    1.1869    3.8250    4.9401 H   0  0  0  0  0
    2.6710    3.8891    3.9716 H   0  0  0  0  0
    0.0302    5.3241    3.3552 H   0  0  0  0  0
    2.7129    6.5152    4.2271 H   0  0  0  0  0
    1.2584    6.3726    5.2239 H   0  0  0  0  0
    1.2536    7.4181    3.7939 H   0  0  0  0  0
   -1.1955    4.4586    1.5642 H   0  0  0  0  0
   -2.0597    4.0739   -0.7300 H   0  0  0  0  0
   -0.6372    4.5052   -2.7030 H   0  0  0  0  0
    1.6933    5.3077   -2.4255 H   0  0  0  0  0
    5.0126    6.1312    1.3592 H   0  0  0  0  0
    6.5370    5.9983   -1.2258 H   0  0  0  0  0
    7.0989    5.3916    0.3213 H   0  0  0  0  0
    6.6322    8.3044   -0.4871 H   0  0  0  0  0
    8.2060    7.5271   -0.3340 H   0  0  0  0  0
    8.0249    6.1242    2.0730 H   0  0  0  0  0
    7.5892    7.1728    3.3803 H   0  0  0  0  0
    9.6207    8.2423    3.4592 H   0  0  0  0  0
   10.1532    6.7159    2.7962 H   0  0  0  0  0
    9.6873   10.4209    1.6030 H   0  0  0  0  0
    9.2877    9.7070    0.0342 H   0  0  0  0  0
    7.6638    9.7688    2.5959 H   0  0  0  0  0
    7.1286   10.0916    0.9693 H   0  0  0  0  0
   13.9400    8.3519    1.4259 H   0  0  0  0  0
   15.4747    6.4244    1.6900 H   0  0  0  0  0
   14.6015    4.1075    1.5128 H   0  0  0  0  0
   12.2001    3.7184    1.0331 H   0  0  0  0  0
   10.6653    5.6375    0.7227 H   0  0  0  0  0
  1  2  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  2 35  1  0  0  0
  3 36  1  0  0  0
  3 37  1  0  0  0
  3 38  1  0  0  0
  4 12  1  0  0  0
  4  5  1  0  0  0
  5 10  1  0  0  0
  5  6  2  0  0  0
  6  7  1  0  0  0
  6 39  1  0  0  0
  7  8  2  0  0  0
  7 40  1  0  0  0
  8  9  1  0  0  0
  8 41  1  0  0  0
  9 10  2  0  0  0
  9 42  1  0  0  0
 10 11  1  0  0  0
 11 12  2  0  0  0
 11 13  1  0  0  0
 13 15  1  0  0  0
 13 14  2  0  0  0
 15 16  1  0  0  0
 15 43  1  0  0  0
 16 17  1  0  0  0
 16 44  1  0  0  0
 16 45  1  0  0  0
 17 18  1  0  0  0
 17 46  1  0  0  0
 17 47  1  0  0  0
 18 23  1  0  0  0
 18 19  1  0  0  0
 19 20  1  0  0  0
 19 48  1  0  0  0
 19 49  1  0  0  0
 20 21  1  0  0  0
 20 50  1  0  0  0
 20 51  1  0  0  0
 21 22  1  0  0  0
 21 24  1  0  0  0
 22 23  1  0  0  0
 22 52  1  0  0  0
 22 53  1  0  0  0
 23 54  1  0  0  0
 23 55  1  0  0  0
 24 26  1  0  0  0
 24 25  2  0  0  0
 26 27  2  0  0  0
 26 31  1  0  0  0
 27 28  1  0  0  0
 27 56  1  0  0  0
 28 29  2  0  0  0
 28 57  1  0  0  0
 29 30  1  0  0  0
 29 58  1  0  0  0
 30 31  2  0  0  0
 30 59  1  0  0  0
 31 60  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL293918

>  <PubChem CID>
11796349

>  <Formula>
C24H29N5O2

>  <Molecular Weight>
419.529000

>  <IUPAC Name>
N-[2-(4-benzoylpiperazin-1-yl)ethyl]-1-propan-2-ylindazole-3-carboxamide

>  <XlogP>
2.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC(C)N1C2=CC=CC=C2C(=N1)C(=O)NCCN3CCN(CC3)C(=O)C4=CC=CC=C4

>  <Isomeric SMILES>
CC(C)N1C2=CC=CC=C2C(=N1)C(=O)NCCN3CCN(CC3)C(=O)C4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C24H29N5O2/c1-18(2)29-21-11-7-6-10-20(21)22(26-29)23(30)25-12-13-27-14-16-28(17-15-27)24(31)19-8-4-3-5-9-19/h3-11,18H,12-17H2,1-2H3,(H,25,30)

>  <InChI Key>
CYSDOQXAIUAKNW-UHFFFAOYSA-N

