M0A

1-[[3-(aminomethyl)phenyl]methyl]-2-butyl-imidazo[4,5-c]quinolin-4-amine

Created:	2015-07-07
Last modified:	2015-09-23

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1 entries where M0A is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	52
Chiral Atom Count	0
Bond Count	55
Aromatic Bond Count	21

2D diagram of M0A

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Chemical Component Summary
Name	1-[[3-(aminomethyl)phenyl]methyl]-2-butyl-imidazo[4,5-c]quinolin-4-amine
Systematic Name (OpenEye OEToolkits)	1-[[3-(aminomethyl)phenyl]methyl]-2-butyl-imidazo[4,5-c]quinolin-4-amine
Formula	C₂₂ H₂₅ N₅
Molecular Weight	359.467
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CCCCc1nc2c(N)nc3ccccc3c2n1Cc4cccc(CN)c4
SMILES	OpenEye OEToolkits	1.9.2	CCCCc1nc2c(n1Cc3cccc(c3)CN)c4ccccc4nc2N
Canonical SMILES	CACTVS	3.385	CCCCc1nc2c(N)nc3ccccc3c2n1Cc4cccc(CN)c4
Canonical SMILES	OpenEye OEToolkits	1.9.2	CCCCc1nc2c(n1Cc3cccc(c3)CN)c4ccccc4nc2N
InChI	InChI	1.03	InChI=1S/C22H25N5/c1-2-3-11-19-26-20-21(17-9-4-5-10-18(17)25-22(20)24)27(19)14-16-8-6-7-15(12-16)13-23/h4-10,12H,2-3,11,13-14,23H2,1H3,(H2,24,25)
InChIKey	InChI	1.03	AKLBWCHTGHQPMA-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL1271705
PubChem	52944297
ChEMBL	CHEMBL1271705

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.