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0LZ

Summary

Name:	N-(4-chloro-3-fluorophenyl)-N'-[(1S)-1,2,3,4-tetrahydroisoquinolin-1-ylmethyl]ethanediamide
Formula:	C18 H17 Cl F N3 O2
Formal charge:	0
Formula weight:	361.798 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N-(4-chloro-3-fluorophenyl)-N'-[(1S)-1,2,3,4-tetrahydroisoquinolin-1-ylmethyl]ethanediamide
OpenEye OEToolkits	1.7.6	N'-(4-chloranyl-3-fluoranyl-phenyl)-N-[[(1S)-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]ethanediamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Clc1ccc(cc1F)NC(=O)C(=O)NCC3c2c(cccc2)CCN3
InChI	InChI	1.03	InChI=1S/C18H17ClFN3O2/c19-14-6-5-12(9-15(14)20)23-18(25)17(24)22-10-16-13-4-2-1-3-11(13)7-8-21-16/h1-6,9,16,21H,7-8,10H2,(H,22,24)(H,23,25)/t16-/m1/s1
InChIKey	InChI	1.03	REQBBGSBIRNOFT-MRXNPFEDSA-N
SMILES_CANONICAL	CACTVS	3.370	Fc1cc(NC(=O)C(=O)NC[C@H]2NCCc3ccccc23)ccc1Cl
SMILES	CACTVS	3.370	Fc1cc(NC(=O)C(=O)NC[CH]2NCCc3ccccc23)ccc1Cl
SMILES_CANONICAL	OpenEye OEToolkits	1.7.6	c1ccc2c(c1)CCN[C@@H]2CNC(=O)C(=O)Nc3ccc(c(c3)F)Cl
SMILES	OpenEye OEToolkits	1.7.6	c1ccc2c(c1)CCNC2CNC(=O)C(=O)Nc3ccc(c(c3)F)Cl

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