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Summary Geometry Related PDB entries

4PX

Summary

Name:	3-(1-hydroxy-2-methylpropan-2-yl)-5-phenyl-3,5-dihydro-1H-imidazo[4,5-c][1,8]naphthyridine-2,4-dione
Formula:	C19 H18 N4 O3
Formal charge:	0
Formula weight:	350.371 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	3-(1-hydroxy-2-methylpropan-2-yl)-5-phenyl-3,5-dihydro-1H-imidazo[4,5-c][1,8]naphthyridine-2,4-dione
OpenEye OEToolkits	1.9.2	3-(2-methyl-1-oxidanyl-propan-2-yl)-5-phenyl-1H-imidazo[4,5-c][1,8]naphthyridine-2,4-dione

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	n3c2N(c1ccccc1)C(=O)C=4N(C(CO)(C)C)C(=O)NC=4c2ccc3
InChI	InChI	1.03	InChI=1S/C19H18N4O3/c1-19(2,11-24)23-15-14(21-18(23)26)13-9-6-10-20-16(13)22(17(15)25)12-7-4-3-5-8-12/h3-10,24H,11H2,1-2H3,(H,21,26)
InChIKey	InChI	1.03	ZQRNBXXBVMUYDO-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CC(C)(CO)N1C(=O)NC2=C1C(=O)N(c3ccccc3)c4ncccc24
SMILES	CACTVS	3.385	CC(C)(CO)N1C(=O)NC2=C1C(=O)N(c3ccccc3)c4ncccc24
SMILES_CANONICAL	OpenEye OEToolkits	1.9.2	CC(C)(CO)N1C2=C(c3cccnc3N(C2=O)c4ccccc4)NC1=O
SMILES	OpenEye OEToolkits	1.9.2	CC(C)(CO)N1C2=C(c3cccnc3N(C2=O)c4ccccc4)NC1=O

222415

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