MT0

1-CHLORO-4-METHYLPHTHALAZINE

Created:	2010-05-07
Last modified:	2011-06-04

Find Related PDB Entry
2 entries where MT0 is found as a standalone ligand

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	19
Chiral Atom Count	0
Bond Count	20
Aromatic Bond Count	11

2D diagram of MT0

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	1-CHLORO-4-METHYLPHTHALAZINE
Systematic Name (OpenEye OEToolkits)	1-chloro-4-methyl-phthalazine
Formula	C₉ H₇ Cl N₂
Molecular Weight	178.618
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	Clc2nnc(c1c2cccc1)C
SMILES	CACTVS	3.352	Cc1nnc(Cl)c2ccccc12
SMILES	OpenEye OEToolkits	1.6.1	Cc1c2ccccc2c(nn1)Cl
Canonical SMILES	CACTVS	3.352	Cc1nnc(Cl)c2ccccc12
Canonical SMILES	OpenEye OEToolkits	1.6.1	Cc1c2ccccc2c(nn1)Cl
InChI	InChI	1.03	InChI=1S/C9H7ClN2/c1-6-7-4-2-3-5-8(7)9(10)12-11-6/h2-5H,1H3
InChIKey	InChI	1.03	IEDBAGGSOLFBBH-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	269733

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.