null
  CDK     0224162156
null
 19 21  0  0  0  0  0  0  0  0999 V2000
    3.3710    0.3754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5552    0.2525    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0408    0.8975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2365    0.7139    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5915    1.2283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5915    2.0533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1230    2.4658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8374    2.0533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8374    1.2283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1230    0.8158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5519    2.4658    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2365    2.5677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0408    2.3841    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3988    1.6408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0529    3.3720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2943    3.6962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3683    4.5179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1726    4.7015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5957    3.9933    0.0000 N   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 
  4  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 10  2  0  0  0  0 
 10  5  1  0  0  0  0 
  8 11  1  0  0  0  0 
  6 12  1  0  0  0  0 
 12 13  2  0  0  0  0 
 13 14  1  0  0  0  0 
 14  3  1  0  0  0  0 
 12 15  1  0  0  0  0 
 15 16  2  0  0  0  0 
 16 17  1  0  0  0  0 
 17 18  2  0  0  0  0 
 18 19  1  0  0  0  0 
 19 15  1  0  0  0  0 
M  END
> <ID>
CHEBI:93522

> <NAME>
7-chloro-N-methyl-5-(1H-pyrrol-2-yl)-3H-1,4-benzodiazepin-2-amine

> <STAR>
2

> <FORMULA>
C14H13ClN4

> <MASS>
272.733

> <MONOISOTOPIC_MASS>
272.08287

> <CHARGE>
0

> <SMILES>
CNC1=NC2=C(C=C(C=C2)Cl)C(=NC1)C3=CC=CN3

> <INCHI>
InChI=1S/C14H13ClN4/c1-16-13-8-18-14(12-3-2-6-17-12)10-7-9(15)4-5-11(10)19-13/h2-7,17H,8H2,1H3,(H,16,19)

> <INCHIKEY>
LEAKQIXYSHIHCW-UHFFFAOYSA-N

> <LINCS_ACCESSION>
LSM-3949

$$$$