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75Z

Summary

Name:	N-[2-[5-(1H-benzimidazol-5-yl)-4H-1,2,4-triazol-3-yl]ethyl]-5-(4-fluorophenyl)-2,3-dihydroxybenzamide
Synonyms:	N-{2-[5-(1H-benzimidazol-5-yl)-4H-1,2,4-triazol-3-yl]ethyl}-4'-fluoro-4,5-dihydroxy[1,1'-biphenyl]-3-carboxamide
Formula:	C24 H19 F N6 O3
Formal charge:	0
Formula weight:	458.444 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N-{2-[5-(1H-benzimidazol-5-yl)-4H-1,2,4-triazol-3-yl]ethyl}-4'-fluoro-4,5-dihydroxy[1,1'-biphenyl]-3-carboxamide
OpenEye OEToolkits	2.0.5	~{N}-[2-[5-(1~{H}-benzimidazol-5-yl)-4~{H}-1,2,4-triazol-3-yl]ethyl]-5-(4-fluorophenyl)-2,3-bis(oxidanyl)benzamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c4(cc(C(NCCc3nc(c1ccc2c(c1)ncn2)nn3)=O)c(O)c(c4)O)c5ccc(cc5)F
InChI	InChI	1.03	InChI=1S/C24H19FN6O3/c25-16-4-1-13(2-5-16)15-9-17(22(33)20(32)11-15)24(34)26-8-7-21-29-23(31-30-21)14-3-6-18-19(10-14)28-12-27-18/h1-6,9-12,32-33H,7-8H2,(H,26,34)(H,27,28)(H,29,30,31)
InChIKey	InChI	1.03	JTVOGMMEJFMJHA-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Oc1cc(cc(c1O)C(=O)NCCc2[nH]c(nn2)c3ccc4[nH]cnc4c3)c5ccc(F)cc5
SMILES	CACTVS	3.385	Oc1cc(cc(c1O)C(=O)NCCc2[nH]c(nn2)c3ccc4[nH]cnc4c3)c5ccc(F)cc5
SMILES_CANONICAL	OpenEye OEToolkits	2.0.5	c1cc(ccc1c2cc(c(c(c2)O)O)C(=O)NCCc3[nH]c(nn3)c4ccc5c(c4)nc[nH]5)F
SMILES	OpenEye OEToolkits	2.0.5	c1cc(ccc1c2cc(c(c(c2)O)O)C(=O)NCCc3[nH]c(nn3)c4ccc5c(c4)nc[nH]5)F

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