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Summary Geometry Related PDB entries

U6S

Summary

Name:	(4S)-3-[(cyclopropylmethyl)amino]-N-(4-phenylpyridin-3-yl)imidazo[1,2-b]pyridazine-8-carboxamide
Formula:	C22 H20 N6 O
Formal charge:	0
Formula weight:	384.434 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(4S)-3-[(cyclopropylmethyl)amino]-N-(4-phenylpyridin-3-yl)imidazo[1,2-b]pyridazine-8-carboxamide
OpenEye OEToolkits	2.0.7	3-(cyclopropylmethylamino)-~{N}-(4-phenylpyridin-3-yl)imidazo[1,2-b]pyridazine-8-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(Nc1cnccc1c1ccccc1)c1ccnn2c(cnc12)NCC1CC1
InChI	InChI	1.06	InChI=1S/C22H20N6O/c29-22(27-19-13-23-10-8-17(19)16-4-2-1-3-5-16)18-9-11-26-28-20(14-25-21(18)28)24-12-15-6-7-15/h1-5,8-11,13-15,24H,6-7,12H2,(H,27,29)
InChIKey	InChI	1.06	UXFHOMCAQUWAHI-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	O=C(Nc1cnccc1c2ccccc2)c3ccnn4c(NCC5CC5)cnc34
SMILES	CACTVS	3.385	O=C(Nc1cnccc1c2ccccc2)c3ccnn4c(NCC5CC5)cnc34
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1ccc(cc1)c2ccncc2NC(=O)c3ccnn4c3ncc4NCC5CC5
SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)c2ccncc2NC(=O)c3ccnn4c3ncc4NCC5CC5

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