X40

4-{[4-amino-5-(pyridin-3-ylcarbonyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide

Created:	2011-02-25
Last modified:	2012-10-26

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1 entries where X40 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	38
Chiral Atom Count	0
Bond Count	40
Aromatic Bond Count	17

2D diagram of X40

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Chemical Component Summary
Name	4-{[4-amino-5-(pyridin-3-ylcarbonyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide
Systematic Name (OpenEye OEToolkits)	4-[(4-azanyl-5-pyridin-3-ylcarbonyl-1,3-thiazol-2-yl)amino]benzenesulfonamide
Formula	C₁₅ H₁₃ N₅ O₃ S₂
Molecular Weight	375.425
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=S(=O)(N)c3ccc(Nc1nc(c(s1)C(=O)c2cccnc2)N)cc3
SMILES	CACTVS	3.370	Nc1nc(Nc2ccc(cc2)[S](N)(=O)=O)sc1C(=O)c3cccnc3
SMILES	OpenEye OEToolkits	1.7.0	c1cc(cnc1)C(=O)c2c(nc(s2)Nc3ccc(cc3)S(=O)(=O)N)N
Canonical SMILES	CACTVS	3.370	Nc1nc(Nc2ccc(cc2)[S](N)(=O)=O)sc1C(=O)c3cccnc3
Canonical SMILES	OpenEye OEToolkits	1.7.0	c1cc(cnc1)C(=O)c2c(nc(s2)Nc3ccc(cc3)S(=O)(=O)N)N
InChI	InChI	1.03	InChI=1S/C15H13N5O3S2/c16-14-13(12(21)9-2-1-7-18-8-9)24-15(20-14)19-10-3-5-11(6-4-10)25(17,22)23/h1-8H,16H2,(H,19,20)(H2,17,22,23)
InChIKey	InChI	1.03	ZDFKJVWFYGHALK-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	66553052
ChEMBL	CHEMBL2377864

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