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Summary Geometry Related PDB entries

Y6L

Summary

Name:	4-(2-aminopropan-2-yl)-N'-[4-(cyclopropyloxy)-3-methoxybenzoyl]-6-(4-fluorophenyl)pyridine-2-carbohydrazide
Formula:	C26 H27 F N4 O4
Formal charge:	0
Formula weight:	478.515 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	4-(2-aminopropan-2-yl)-N'-[4-(cyclopropyloxy)-3-methoxybenzoyl]-6-(4-fluorophenyl)pyridine-2-carbohydrazide
OpenEye OEToolkits	2.0.7	4-(2-azanylpropan-2-yl)-~{N}'-(4-cyclopropyloxy-3-methoxy-phenyl)carbonyl-6-(4-fluorophenyl)pyridine-2-carbohydrazide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(NNC(=O)c1ccc(OC2CC2)c(OC)c1)c1cc(cc(n1)c1ccc(F)cc1)C(C)(C)N
InChI	InChI	1.06	InChI=1S/C26H27FN4O4/c1-26(2,28)17-13-20(15-4-7-18(27)8-5-15)29-21(14-17)25(33)31-30-24(32)16-6-11-22(23(12-16)34-3)35-19-9-10-19/h4-8,11-14,19H,9-10,28H2,1-3H3,(H,30,32)(H,31,33)
InChIKey	InChI	1.06	RLLFSRLPEMDZNU-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	COc1cc(ccc1OC2CC2)C(=O)NNC(=O)c3cc(cc(n3)c4ccc(F)cc4)C(C)(C)N
SMILES	CACTVS	3.385	COc1cc(ccc1OC2CC2)C(=O)NNC(=O)c3cc(cc(n3)c4ccc(F)cc4)C(C)(C)N
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CC(C)(c1cc(nc(c1)C(=O)NNC(=O)c2ccc(c(c2)OC)OC3CC3)c4ccc(cc4)F)N
SMILES	OpenEye OEToolkits	2.0.7	CC(C)(c1cc(nc(c1)C(=O)NNC(=O)c2ccc(c(c2)OC)OC3CC3)c4ccc(cc4)F)N

223532

PDB entries from 2024-08-07

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