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Summary Geometry Related PDB entries

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Summary

Name:	2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxyquinazolin-4(3H)-one
Formula:	C20 H22 N2 O5
Formal charge:	0
Formula weight:	370.399 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxyquinazolin-4(3H)-one
OpenEye OEToolkits	1.7.6	2-[4-(2-hydroxyethyloxy)-3,5-dimethyl-phenyl]-5,7-dimethoxy-3H-quinazolin-4-one

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C2c3c(N=C(c1cc(c(OCCO)c(c1)C)C)N2)cc(OC)cc3OC
InChI	InChI	1.03	InChI=1S/C20H22N2O5/c1-11-7-13(8-12(2)18(11)27-6-5-23)19-21-15-9-14(25-3)10-16(26-4)17(15)20(24)22-19/h7-10,23H,5-6H2,1-4H3,(H,21,22,24)
InChIKey	InChI	1.03	NETXMUIMUZJUTB-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.370	COc1cc(OC)c2C(=O)NC(=Nc2c1)c3cc(C)c(OCCO)c(C)c3
SMILES	CACTVS	3.370	COc1cc(OC)c2C(=O)NC(=Nc2c1)c3cc(C)c(OCCO)c(C)c3
SMILES_CANONICAL	OpenEye OEToolkits	1.7.6	Cc1cc(cc(c1OCCO)C)C2=Nc3cc(cc(c3C(=O)N2)OC)OC
SMILES	OpenEye OEToolkits	1.7.6	Cc1cc(cc(c1OCCO)C)C2=Nc3cc(cc(c3C(=O)N2)OC)OC

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건을2024-07-10부터공개중

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