null
  CDK     0225161858
null
 27 29  0  0  0  0  0  0  0  0999 V2000
   -2.6909    0.0165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8659    0.0165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4534   -0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8659   -1.4124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6284   -0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435   -1.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435   -0.0305    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    0.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556   -1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556   -2.3479    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.3984   -2.1500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1536   -2.7631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1014   -3.5477    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9606   -2.5916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5126   -3.2047    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3196   -3.0331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8716   -3.6462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6167   -4.4309    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8097   -4.6024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2577   -3.9893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1687   -5.0439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9138   -5.8286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4658   -6.4417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0 
  2  3  1  0  0  0  0 
  3  4  2  0  0  0  0 
  3  5  1  0  0  0  0 
  5  6  2  0  0  0  0 
  6  7  1  0  0  0  0 
  7  8  2  0  0  0  0 
  8  9  1  0  0  0  0 
  9  5  1  0  0  0  0 
  8 10  1  0  0  0  0 
 10 11  2  0  0  0  0 
 11 12  1  0  0  0  0 
 12 13  2  0  0  0  0 
 13  7  1  0  0  0  0 
 13 14  1  0  0  0  0 
  6 15  1  0  0  0  0 
 15 16  1  0  0  0  0 
 16 17  2  0  0  0  0 
 16 18  1  0  0  0  0 
 18 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
 24 19  1  0  0  0  0 
 22 25  1  0  0  0  0 
 25 26  1  0  0  0  0 
 26 27  1  0  0  0  0 
M  END
> <ID>
CHEBI:112229

> <NAME>
4-chloro-3-[[2-[4-(2-hydroxyethyl)-1-piperazinyl]-1-oxoethyl]amino]-1H-indole-2-carboxylic acid methyl ester

> <STAR>
2

> <FORMULA>
C18H23ClN4O4

> <MASS>
394.853

> <MONOISOTOPIC_MASS>
394.14078

> <CHARGE>
0

> <SMILES>
COC(=O)C1=C(C2=C(N1)C=CC=C2Cl)NC(=O)CN3CCN(CC3)CCO

> <INCHI>
InChI=1S/C18H23ClN4O4/c1-27-18(26)17-16(15-12(19)3-2-4-13(15)20-17)21-14(25)11-23-7-5-22(6-8-23)9-10-24/h2-4,20,24H,5-11H2,1H3,(H,21,25)

> <INCHIKEY>
UVBVXUHABUKTAY-UHFFFAOYSA-N

> <LINCS_ACCESSION>
LSM-23641

$$$$