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Summary Geometry Related PDB entries

A1H6V

Summary

Name:	(~{R})-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[1-(1~{H}-indol-5-yl)-1,2,3-triazol-4-yl]methanol
Formula:	C19 H16 N6 O S
Formal charge:	0
Formula weight:	376.435 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	(~{R})-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[1-(1~{H}-indol-5-yl)-1,2,3-triazol-4-yl]methanol

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C19H16N6OS/c26-18(17-19(11-1-2-11)27-16-8-20-10-24(16)17)15-9-25(23-22-15)13-3-4-14-12(7-13)5-6-21-14/h3-11,18,21,26H,1-2H2/t18-/m1/s1
InChIKey	InChI	1.06	WHDFFIFZAATNAB-GOSISDBHSA-N
SMILES_CANONICAL	CACTVS	3.385	O[C@@H](c1cn(nn1)c2ccc3[nH]ccc3c2)c4n5cncc5sc4C6CC6
SMILES	CACTVS	3.385	O[CH](c1cn(nn1)c2ccc3[nH]ccc3c2)c4n5cncc5sc4C6CC6
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1cc2c(cc[nH]2)cc1n3cc(nn3)[C@@H](c4c(sc5n4cnc5)C6CC6)O
SMILES	OpenEye OEToolkits	2.0.7	c1cc2c(cc[nH]2)cc1n3cc(nn3)C(c4c(sc5n4cnc5)C6CC6)O

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