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Summary Geometry Related PDB entries

TGE

Summary

Name:	7-(6-methoxypyridin-3-yl)-3-{[2-(morpholin-4-yl)ethyl]amino}-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2(1H)-one
Formula:	C24 H32 N6 O4
Formal charge:	0
Formula weight:	468.549 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	7-(6-methoxypyridin-3-yl)-3-{[2-(morpholin-4-yl)ethyl]amino}-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2(1H)-one
OpenEye OEToolkits	1.7.2	7-(6-methoxypyridin-3-yl)-3-(2-morpholin-4-ylethylamino)-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C2N(c3cc(ncc3N=C2NCCN1CCOCC1)c4ccc(OC)nc4)CCOCCC
InChI	InChI	1.03	InChI=1S/C24H32N6O4/c1-3-11-33-14-10-30-21-15-19(18-4-5-22(32-2)27-16-18)26-17-20(21)28-23(24(30)31)25-6-7-29-8-12-34-13-9-29/h4-5,15-17H,3,6-14H2,1-2H3,(H,25,28)
InChIKey	InChI	1.03	OFRWMWHKNKWEHT-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.370	CCCOCCN1C(=O)C(=Nc2cnc(cc12)c3ccc(OC)nc3)NCCN4CCOCC4
SMILES	CACTVS	3.370	CCCOCCN1C(=O)C(=Nc2cnc(cc12)c3ccc(OC)nc3)NCCN4CCOCC4
SMILES_CANONICAL	OpenEye OEToolkits	1.7.2	CCCOCCN1c2cc(ncc2N=C(C1=O)NCCN3CCOCC3)c4ccc(nc4)OC
SMILES	OpenEye OEToolkits	1.7.2	CCCOCCN1c2cc(ncc2N=C(C1=O)NCCN3CCOCC3)c4ccc(nc4)OC

223532

PDB entries from 2024-08-07

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