979

5,6-DIPHENYL-N-(2-PIPERAZIN-1-YLETHYL)FURO[2,3-D]PYRIMIDIN-4-AMINE

Created:	2007-01-12
Last modified:	2021-03-01

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1 entries where 979 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	55
Chiral Atom Count	0
Bond Count	59
Aromatic Bond Count	24

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Chemical Component Summary
Name	5,6-DIPHENYL-N-(2-PIPERAZIN-1-YLETHYL)FURO[2,3-D]PYRIMIDIN-4-AMINE
Synonyms	FURANOPYRIDIMIDINE 1
Systematic Name (OpenEye OEToolkits)	5,6-diphenyl-N-(2-piperazin-1-ylethyl)furo[3,2-e]pyrimidin-4-amine
Formula	C₂₄ H₂₅ N₅ O
Molecular Weight	399.488
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	n1c(c2c(nc1)oc(c2c3ccccc3)c4ccccc4)NCCN5CCNCC5
SMILES	CACTVS	3.341	C1CN(CCN1)CCNc2ncnc3oc(c4ccccc4)c(c5ccccc5)c23
SMILES	OpenEye OEToolkits	1.5.0	c1ccc(cc1)c2c3c(ncnc3oc2c4ccccc4)NCCN5CCNCC5
Canonical SMILES	CACTVS	3.341	C1CN(CCN1)CCNc2ncnc3oc(c4ccccc4)c(c5ccccc5)c23
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1ccc(cc1)c2c3c(ncnc3oc2c4ccccc4)NCCN5CCNCC5
InChI	InChI	1.03	InChI=1S/C24H25N5O/c1-3-7-18(8-4-1)20-21-23(26-13-16-29-14-11-25-12-15-29)27-17-28-24(21)30-22(20)19-9-5-2-6-10-19/h1-10,17,25H,11-16H2,(H,26,27,28)
InChIKey	InChI	1.03	PTILEOLOGGMFCS-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License

DrugBank ID	DB07297
Name	5,6-DIPHENYL-N-(2-PIPERAZIN-1-YLETHYL)FURO[2,3-D]PYRIMIDIN-4-AMINE
Groups	experimental
Synonyms	5,6-DIPHENYL-N-(2-PIPERAZIN-1-YLETHYL)FURO[2,3-D]PYRIMIDIN-4-AMINE

Drug Targets

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License

Name	Target Sequence	Pharmacological Action	Actions
Tyrosine-protein kinase Lck	MGCGCSSHPEDDWMENIDVCENCHYPIVPLDGKGTLLIRNGSEVRDPLVT...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682