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Summary

Name:	3-CHLORO-N-[4-CHLORO-2-[[(5-CHLORO-2-PYRIDINYL)AMINO]CARBONYL]-6-METHOXYPHENYL]-4-[[(4,5-DIHYDRO-2-OXAZOLYL)METHYLAMINO]METHYL]-2-THIOPHENECARBOXAMIDE
Formula:	C23 H20 Cl3 N5 O4 S
Formal charge:	0
Formula weight:	568.86 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	10.04	3-chloro-N-{4-chloro-2-[(5-chloropyridin-2-yl)carbamoyl]-6-methoxyphenyl}-4-{[4,5-dihydro-1,3-oxazol-2-yl(methyl)amino]methyl}thiophene-2-carboxamide
OpenEye OEToolkits	1.5.0	3-chloro-N-[4-chloro-2-[(5-chloropyridin-2-yl)carbamoyl]-6-methoxy-phenyl]-4-[(4,5-dihydro-1,3-oxazol-2-yl-methyl-amino)methyl]thiophene-2-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	Clc1c(scc1CN(C2=NCCO2)C)C(=O)Nc4c(C(=O)Nc3ncc(Cl)cc3)cc(Cl)cc4OC
SMILES_CANONICAL	CACTVS	3.341	COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c3scc(CN(C)C4=NCCO4)c3Cl
SMILES	CACTVS	3.341	COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c3scc(CN(C)C4=NCCO4)c3Cl
SMILES_CANONICAL	OpenEye OEToolkits	1.5.0	CN(Cc1csc(c1Cl)C(=O)Nc2c(cc(cc2OC)Cl)C(=O)Nc3ccc(cn3)Cl)C4=NCCO4
SMILES	OpenEye OEToolkits	1.5.0	CN(Cc1csc(c1Cl)C(=O)Nc2c(cc(cc2OC)Cl)C(=O)Nc3ccc(cn3)Cl)C4=NCCO4
InChI	InChI	1.03	InChI=1S/C23H20Cl3N5O4S/c1-31(23-27-5-6-35-23)10-12-11-36-20(18(12)26)22(33)30-19-15(7-14(25)8-16(19)34-2)21(32)29-17-4-3-13(24)9-28-17/h3-4,7-9,11H,5-6,10H2,1-2H3,(H,30,33)(H,28,29,32)
InChIKey	InChI	1.03	FBXIHZSULWMHJY-UHFFFAOYSA-N

218853

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