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Summary Geometry Related PDB entries

A1LZN

Summary

Name:	(6~{R})-2-[[3,5-bis(fluoranyl)phenyl]methyl]-6-(hydroxymethyl)-5-[[4-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-6~{H}-pyrazolo[1,5-a][1,4]diazepin-4-one
Formula:	C23 H20 F5 N3 O2
Formal charge:	0
Formula weight:	465.416 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	(6~{R})-2-[[3,5-bis(fluoranyl)phenyl]methyl]-6-(hydroxymethyl)-5-[[4-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-6~{H}-pyrazolo[1,5-a][1,4]diazepin-4-one

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C23H20F5N3O2/c24-17-7-15(8-18(25)10-17)9-19-11-21-22(33)30(20(13-32)5-6-31(21)29-19)12-14-1-3-16(4-2-14)23(26,27)28/h1-4,7-8,10-11,20,32H,5-6,9,12-13H2
InChIKey	InChI	1.06	SZLZNFDCRGBJIA-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	OC[C@H]1CCn2nc(Cc3cc(F)cc(F)c3)cc2C(=O)N1Cc4ccc(cc4)C(F)(F)F
SMILES	CACTVS	3.385	OC[CH]1CCn2nc(Cc3cc(F)cc(F)c3)cc2C(=O)N1Cc4ccc(cc4)C(F)(F)F
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1cc(ccc1CN2[C@H](CCn3c(cc(n3)Cc4cc(cc(c4)F)F)C2=O)CO)C(F)(F)F
SMILES	OpenEye OEToolkits	2.0.7	c1cc(ccc1CN2C(CCn3c(cc(n3)Cc4cc(cc(c4)F)F)C2=O)CO)C(F)(F)F

250835

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