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Summary Geometry Related PDB entries

Y92

Summary

Name:	1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-(4-cyclopropyl-3-fluorophenyl)ethan-1-one
Formula:	C19 H20 Cl F N4 O
Formal charge:	0
Formula weight:	374.84 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-(4-cyclopropyl-3-fluorophenyl)ethan-1-one
OpenEye OEToolkits	2.0.7	1-[4-(6-chloranylpyridazin-3-yl)piperazin-1-yl]-2-(4-cyclopropyl-3-fluoranyl-phenyl)ethanone

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(Cc1ccc(C2CC2)c(F)c1)N1CCN(CC1)c1ccc(Cl)nn1
InChI	InChI	1.03	InChI=1S/C19H20ClFN4O/c20-17-5-6-18(23-22-17)24-7-9-25(10-8-24)19(26)12-13-1-4-15(14-2-3-14)16(21)11-13/h1,4-6,11,14H,2-3,7-10,12H2
InChIKey	InChI	1.03	GGZFNPBICDFCKG-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Fc1cc(CC(=O)N2CCN(CC2)c3ccc(Cl)nn3)ccc1C4CC4
SMILES	CACTVS	3.385	Fc1cc(CC(=O)N2CCN(CC2)c3ccc(Cl)nn3)ccc1C4CC4
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1cc(c(cc1CC(=O)N2CCN(CC2)c3ccc(nn3)Cl)F)C4CC4
SMILES	OpenEye OEToolkits	2.0.7	c1cc(c(cc1CC(=O)N2CCN(CC2)c3ccc(nn3)Cl)F)C4CC4

222415

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