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Summary Geometry Related PDB entries

A1ACP

Summary

Name:	(4P)-4-[6-fluoro-5-(2-methoxyanilino)-1H-indazol-1-yl]-N-(oxetan-3-yl)thiophene-2-carboxamide
Formula:	C22 H19 F N4 O3 S
Formal charge:	0
Formula weight:	438.475 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(4P)-4-[6-fluoro-5-(2-methoxyanilino)-1H-indazol-1-yl]-N-(oxetan-3-yl)thiophene-2-carboxamide
OpenEye OEToolkits	2.0.7	4-[6-fluoranyl-5-[(2-methoxyphenyl)amino]indazol-1-yl]-~{N}-(oxetan-3-yl)thiophene-2-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	COc1ccccc1Nc1cc2cnn(c3cc(sc3)C(=O)NC3COC3)c2cc1F
InChI	InChI	1.06	InChI=1S/C22H19FN4O3S/c1-29-20-5-3-2-4-17(20)26-18-6-13-9-24-27(19(13)8-16(18)23)15-7-21(31-12-15)22(28)25-14-10-30-11-14/h2-9,12,14,26H,10-11H2,1H3,(H,25,28)
InChIKey	InChI	1.06	GYCODKDGFRRIIQ-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	COc1ccccc1Nc2cc3cnn(c4csc(c4)C(=O)NC5COC5)c3cc2F
SMILES	CACTVS	3.385	COc1ccccc1Nc2cc3cnn(c4csc(c4)C(=O)NC5COC5)c3cc2F
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	COc1ccccc1Nc2cc3cnn(c3cc2F)c4cc(sc4)C(=O)NC5COC5
SMILES	OpenEye OEToolkits	2.0.7	COc1ccccc1Nc2cc3cnn(c3cc2F)c4cc(sc4)C(=O)NC5COC5

247536

PDB entries from 2026-01-14

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