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Summary Geometry Related PDB entries

3U5

Summary

Name:	5-[3-(quinolin-3-yl)-2H-indazol-5-yl]-1,3-thiazol-2-amine
Formula:	C19 H13 N5 S
Formal charge:	0
Formula weight:	343.405 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	5-[3-(quinolin-3-yl)-2H-indazol-5-yl]-1,3-thiazol-2-amine
OpenEye OEToolkits	1.9.2	5-(3-quinolin-3-yl-2H-indazol-5-yl)-1,3-thiazol-2-amine

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	n1cc(sc1N)c5cc4c(c2cc3ccccc3nc2)nnc4cc5
InChI	InChI	1.03	InChI=1S/C19H13N5S/c20-19-22-10-17(25-19)12-5-6-16-14(8-12)18(24-23-16)13-7-11-3-1-2-4-15(11)21-9-13/h1-10H,(H2,20,22)(H,23,24)
InChIKey	InChI	1.03	GQCHSJRNLCGUAC-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Nc1sc(cn1)c2ccc3n[nH]c(c4cnc5ccccc5c4)c3c2
SMILES	CACTVS	3.385	Nc1sc(cn1)c2ccc3n[nH]c(c4cnc5ccccc5c4)c3c2
SMILES_CANONICAL	OpenEye OEToolkits	1.9.2	c1ccc2c(c1)cc(cn2)c3c4cc(ccc4n[nH]3)c5cnc(s5)N
SMILES	OpenEye OEToolkits	1.9.2	c1ccc2c(c1)cc(cn2)c3c4cc(ccc4n[nH]3)c5cnc(s5)N

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