CID

6-(4-CHLOROPHENYL)IMIDAZO[2,1-B][1,3]THIAZOLE-5-CARBALDEHYDE O-(3,4-DICHLOROBENZYL)OXIME

Created:	2004-11-17
Last modified:	2011-06-04

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1 entries where CID is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	39
Chiral Atom Count	0
Bond Count	42
Aromatic Bond Count	22

2D diagram of CID

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Chemical Component Summary
Name	6-(4-CHLOROPHENYL)IMIDAZO[2,1-B][1,3]THIAZOLE-5-CARBALDEHYDE O-(3,4-DICHLOROBENZYL)OXIME
Systematic Name (OpenEye OEToolkits)	1-[6-(4-chlorophenyl)imidazo[2,3-b][1,3]thiazol-5-yl]-N-[(3,4-dichlorophenyl)methoxy]methanimine
Formula	C₁₉ H₁₂ Cl₃ N₃ O S
Molecular Weight	436.742
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	Clc1ccc(cc1Cl)CO\N=C\c3n4ccsc4nc3c2ccc(Cl)cc2
SMILES	CACTVS	3.341	Clc1ccc(cc1)c2nc3sccn3c2C=NOCc4ccc(Cl)c(Cl)c4
SMILES	OpenEye OEToolkits	1.5.0	c1cc(ccc1c2c(n3ccsc3n2)C=NOCc4ccc(c(c4)Cl)Cl)Cl
Canonical SMILES	CACTVS	3.341	Clc1ccc(cc1)c2nc3sccn3c2/C=N/OCc4ccc(Cl)c(Cl)c4
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1cc(ccc1c2c(n3ccsc3n2)\C=N\OCc4ccc(c(c4)Cl)Cl)Cl
InChI	InChI	1.03	InChI=1S/C19H12Cl3N3OS/c20-14-4-2-13(3-5-14)18-17(25-7-8-27-19(25)24-18)10-23-26-11-12-1-6-15(21)16(22)9-12/h1-10H,11H2/b23-10+
InChIKey	InChI	1.03	ZQWBOKJVVYNKTL-AUEPDCJTSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL458603
PubChem	9600409
ChEMBL	CHEMBL458603
ChEBI	CHEBI:92928

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.