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Summary Geometry Related PDB entries

FRZ

Summary

Name:	5-(2-PHENYLPYRAZOLO[1,5-A]PYRIDIN-3-YL)-1H-PYRAZOLO[3,4-C]PYRIDAZIN-3-AMINE
Synonyms:	FR180204
Formula:	C18 H13 N7
Formal charge:	0
Formula weight:	327.343 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	10.04	5-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-1H-pyrazolo[3,4-c]pyridazin-3-amine
OpenEye OEToolkits	1.5.0	5-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-1H-pyrazolo[5,4-c]pyridazin-3-amine

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	n1nc5c(cc1c3c4ccccn4nc3c2ccccc2)c(nn5)N
SMILES_CANONICAL	CACTVS	3.341	Nc1n[nH]c2nnc(cc12)c3c4ccccn4nc3c5ccccc5
SMILES	CACTVS	3.341	Nc1n[nH]c2nnc(cc12)c3c4ccccn4nc3c5ccccc5
SMILES_CANONICAL	OpenEye OEToolkits	1.5.0	c1ccc(cc1)c2c(c3ccccn3n2)c4cc5c(n[nH]c5nn4)N
SMILES	OpenEye OEToolkits	1.5.0	c1ccc(cc1)c2c(c3ccccn3n2)c4cc5c(n[nH]c5nn4)N
InChI	InChI	1.03	InChI=1S/C18H13N7/c19-17-12-10-13(20-22-18(12)23-21-17)15-14-8-4-5-9-25(14)24-16(15)11-6-2-1-3-7-11/h1-10H,(H3,19,21,22,23)
InChIKey	InChI	1.03	XVECMUKVOMUNLE-UHFFFAOYSA-N

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