0M2

(2R)-1-(3,8-dihydrodibenzo[b,f]pyrrolo[3,4-d]azepin-2(1H)-yl)propan-2-ol

Created:	2012-08-16
Last modified:	2013-02-08

Find Related PDB Entry
1 entries where 0M2 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	42
Chiral Atom Count	1
Bond Count	45
Aromatic Bond Count	12

2D diagram of 0M2

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	(2R)-1-(3,8-dihydrodibenzo[b,f]pyrrolo[3,4-d]azepin-2(1H)-yl)propan-2-ol
Systematic Name (OpenEye OEToolkits)	n/a
Formula	C₁₉ H₂₀ N₂ O
Molecular Weight	292.375
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	OC(C)CN4CC2=C(c3c(Nc1ccccc12)cccc3)C4
SMILES	CACTVS	3.370	C[CH](O)CN1CC2=C(C1)c3ccccc3Nc4ccccc24
SMILES	OpenEye OEToolkits	1.7.6	CC(CN1CC2=C(C1)c3ccccc3Nc4c2cccc4)O
Canonical SMILES	CACTVS	3.370	C[C@@H](O)CN1CC2=C(C1)c3ccccc3Nc4ccccc24
Canonical SMILES	OpenEye OEToolkits	1.7.6	C[C@H](CN1CC2=C(C1)c3ccccc3Nc4c2cccc4)O
InChI	InChI	1.03	InChI=1S/C19H20N2O/c1-13(22)10-21-11-16-14-6-2-4-8-18(14)20-19-9-5-3-7-15(19)17(16)12-21/h2-9,13,20,22H,10-12H2,1H3/t13-/m1/s1
InChIKey	InChI	1.03	KUHCFTHIRUPZQC-CYBMUJFWSA-N

Related Resource References

Resource Name	Reference
PubChem	78225872

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.