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Summary Geometry Related PDB entries

1M1

Summary

Name:	(6R)-6-(pyridin-2-yl)-5,6-dihydrobenzimidazo[1,2-c]quinazoline
Formula:	C19 H14 N4
Formal charge:	0
Formula weight:	298.341 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(6R)-6-(pyridin-2-yl)-5,6-dihydrobenzimidazo[1,2-c]quinazoline
OpenEye OEToolkits	1.7.6	(6R)-6-pyridin-2-yl-5,6-dihydrobenzimidazolo[1,2-c]quinazoline

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	n2c1c(cccc1)n4c2c5c(NC4c3ncccc3)cccc5
InChI	InChI	1.03	InChI=1S/C19H14N4/c1-2-8-14-13(7-1)18-22-15-9-3-4-11-17(15)23(18)19(21-14)16-10-5-6-12-20-16/h1-12,19,21H/t19-/m1/s1
InChIKey	InChI	1.03	ZMZZAQWHHFSQPH-LJQANCHMSA-N
SMILES_CANONICAL	CACTVS	3.370	N1[C@H](n2c3ccccc3nc2c4ccccc14)c5ccccn5
SMILES	CACTVS	3.370	N1[CH](n2c3ccccc3nc2c4ccccc14)c5ccccn5
SMILES_CANONICAL	OpenEye OEToolkits	1.7.6	c1ccc2c(c1)-c3nc4ccccc4n3[C@@H](N2)c5ccccn5
SMILES	OpenEye OEToolkits	1.7.6	c1ccc2c(c1)-c3nc4ccccc4n3C(N2)c5ccccn5

223532

PDB entries from 2024-08-07

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