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Summary Geometry Related PDB entries

3V0

Summary

Name:	N-{[(2R)-2,3-dihydroxypropyl]oxy}-3-[(2-fluoro-4-iodophenyl)amino]furo[3,2-c]pyridine-2-carboxamide
Formula:	C17 H15 F I N3 O5
Formal charge:	0
Formula weight:	487.221 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N-{[(2R)-2,3-dihydroxypropyl]oxy}-3-[(2-fluoro-4-iodophenyl)amino]furo[3,2-c]pyridine-2-carboxamide
OpenEye OEToolkits	1.7.6	N-[(2R)-2,3-bis(oxidanyl)propoxy]-3-[(2-fluoranyl-4-iodanyl-phenyl)amino]furo[3,2-c]pyridine-2-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Ic1ccc(c(F)c1)Nc2c3c(oc2C(=O)NOCC(O)CO)ccnc3
InChI	InChI	1.03	InChI=1S/C17H15FIN3O5/c18-12-5-9(19)1-2-13(12)21-15-11-6-20-4-3-14(11)27-16(15)17(25)22-26-8-10(24)7-23/h1-6,10,21,23-24H,7-8H2,(H,22,25)/t10-/m1/s1
InChIKey	InChI	1.03	MOKOPMFVODBALH-SNVBAGLBSA-N
SMILES_CANONICAL	CACTVS	3.370	OC[C@@H](O)CONC(=O)c1oc2ccncc2c1Nc3ccc(I)cc3F
SMILES	CACTVS	3.370	OC[CH](O)CONC(=O)c1oc2ccncc2c1Nc3ccc(I)cc3F
SMILES_CANONICAL	OpenEye OEToolkits	1.7.6	c1cc(c(cc1I)F)Nc2c3cnccc3oc2C(=O)NOC[C@@H](CO)O
SMILES	OpenEye OEToolkits	1.7.6	c1cc(c(cc1I)F)Nc2c3cnccc3oc2C(=O)NOCC(CO)O

219869

PDB entries from 2024-05-15

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