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Summary Geometry Related PDB entries

Q5A

Summary

Name:	N~1~-[(4-fluorophenyl)methyl]-N~1~-methyl-N~4~-(4-methyl-1,3-thiazol-2-yl)piperidine-1,4-dicarboxamide
Formula:	C19 H23 F N4 O2 S
Formal charge:	0
Formula weight:	390.475 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N~1~-[(4-fluorophenyl)methyl]-N~1~-methyl-N~4~-(4-methyl-1,3-thiazol-2-yl)piperidine-1,4-dicarboxamide
OpenEye OEToolkits	2.0.7	~{N}1-[(4-fluorophenyl)methyl]-~{N}1-methyl-~{N}4-(4-methyl-1,3-thiazol-2-yl)piperidine-1,4-dicarboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Cc1nc(sc1)NC(C2CCN(CC2)C(N(C)Cc3ccc(cc3)F)=O)=O
InChI	InChI	1.03	InChI=1S/C19H23FN4O2S/c1-13-12-27-18(21-13)22-17(25)15-7-9-24(10-8-15)19(26)23(2)11-14-3-5-16(20)6-4-14/h3-6,12,15H,7-11H2,1-2H3,(H,21,22,25)
InChIKey	InChI	1.03	FYQIXROHNRZVMM-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CN(Cc1ccc(F)cc1)C(=O)N2CCC(CC2)C(=O)Nc3scc(C)n3
SMILES	CACTVS	3.385	CN(Cc1ccc(F)cc1)C(=O)N2CCC(CC2)C(=O)Nc3scc(C)n3
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cc1csc(n1)NC(=O)C2CCN(CC2)C(=O)N(C)Cc3ccc(cc3)F
SMILES	OpenEye OEToolkits	2.0.7	Cc1csc(n1)NC(=O)C2CCN(CC2)C(=O)N(C)Cc3ccc(cc3)F

227344

數據於2024-11-13公開中

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