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Summary Geometry Related PDB entries

ZTO

Summary

Name:	N-(3-{[(3R)-5-fluoro-2-oxo-2,3-dihydro-1H-indol-3-yl]methyl}phenyl)-4-methoxybenzamide
Formula:	C23 H19 F N2 O3
Formal charge:	0
Formula weight:	390.407 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N-(3-{[(3R)-5-fluoro-2-oxo-2,3-dihydro-1H-indol-3-yl]methyl}phenyl)-4-methoxybenzamide
OpenEye OEToolkits	2.0.7	~{N}-[3-[[(3~{R})-5-fluoranyl-2-oxidanylidene-1,3-dihydroindol-3-yl]methyl]phenyl]-4-methoxy-benzamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	COc1ccc(cc1)C(=O)Nc1cccc(c1)CC1c2cc(F)ccc2NC1=O
InChI	InChI	1.06	InChI=1S/C23H19FN2O3/c1-29-18-8-5-15(6-9-18)22(27)25-17-4-2-3-14(11-17)12-20-19-13-16(24)7-10-21(19)26-23(20)28/h2-11,13,20H,12H2,1H3,(H,25,27)(H,26,28)/t20-/m1/s1
InChIKey	InChI	1.06	PMXAOPMAOYNZJP-HXUWFJFHSA-N
SMILES_CANONICAL	CACTVS	3.385	COc1ccc(cc1)C(=O)Nc2cccc(C[C@H]3C(=O)Nc4ccc(F)cc34)c2
SMILES	CACTVS	3.385	COc1ccc(cc1)C(=O)Nc2cccc(C[CH]3C(=O)Nc4ccc(F)cc34)c2
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	COc1ccc(cc1)C(=O)Nc2cccc(c2)C[C@@H]3c4cc(ccc4NC3=O)F
SMILES	OpenEye OEToolkits	2.0.7	COc1ccc(cc1)C(=O)Nc2cccc(c2)CC3c4cc(ccc4NC3=O)F

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