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Summary Geometry Related PDB entries

319

Summary

Name:	N-({4-[(2-aminopyridin-4-yl)oxy]-3-fluorophenyl}carbamoyl)-2-(4-fluorophenyl)acetamide
Formula:	C20 H16 F2 N4 O3
Formal charge:	0
Formula weight:	398.363 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	10.04	N-({4-[(2-aminopyridin-4-yl)oxy]-3-fluorophenyl}carbamoyl)-2-(4-fluorophenyl)acetamide
OpenEye OEToolkits	1.5.0	N-[[4-(2-aminopyridin-4-yl)oxy-3-fluoro-phenyl]carbamoyl]-2-(4-fluorophenyl)ethanamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	Fc1ccc(cc1)CC(=O)NC(=O)Nc3ccc(Oc2ccnc(N)c2)c(F)c3
SMILES_CANONICAL	CACTVS	3.341	Nc1cc(Oc2ccc(NC(=O)NC(=O)Cc3ccc(F)cc3)cc2F)ccn1
SMILES	CACTVS	3.341	Nc1cc(Oc2ccc(NC(=O)NC(=O)Cc3ccc(F)cc3)cc2F)ccn1
SMILES_CANONICAL	OpenEye OEToolkits	1.5.0	c1cc(ccc1CC(=O)NC(=O)Nc2ccc(c(c2)F)Oc3ccnc(c3)N)F
SMILES	OpenEye OEToolkits	1.5.0	c1cc(ccc1CC(=O)NC(=O)Nc2ccc(c(c2)F)Oc3ccnc(c3)N)F
InChI	InChI	1.03	InChI=1S/C20H16F2N4O3/c21-13-3-1-12(2-4-13)9-19(27)26-20(28)25-14-5-6-17(16(22)10-14)29-15-7-8-24-18(23)11-15/h1-8,10-11H,9H2,(H2,23,24)(H2,25,26,27,28)
InChIKey	InChI	1.03	USBSTVPJNQLYEM-UHFFFAOYSA-N

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PDB entries from 2024-08-07

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