NW1

6-CYCLOHEXYLMETHYLOXY-5-NITROSO-PYRIMIDINE-2,4-DIAMINE

Created:	2000-05-11
Last modified:	2011-06-04

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1 entries where NW1 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	35
Chiral Atom Count	0
Bond Count	36
Aromatic Bond Count	6

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Chemical Component Summary
Name	6-CYCLOHEXYLMETHYLOXY-5-NITROSO-PYRIMIDINE-2,4-DIAMINE
Systematic Name (OpenEye OEToolkits)	6-(cyclohexylmethoxy)-5-nitroso-pyrimidine-2,4-diamine
Formula	C₁₁ H₁₇ N₅ O₂
Molecular Weight	251.285
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=Nc2c(OCC1CCCCC1)nc(nc2N)N
SMILES	CACTVS	3.341	Nc1nc(N)c(N=O)c(OCC2CCCCC2)n1
SMILES	OpenEye OEToolkits	1.5.0	C1CCC(CC1)COc2c(c(nc(n2)N)N)N=O
Canonical SMILES	CACTVS	3.341	Nc1nc(N)c(N=O)c(OCC2CCCCC2)n1
Canonical SMILES	OpenEye OEToolkits	1.5.0	C1CCC(CC1)COc2c(c(nc(n2)N)N)N=O
InChI	InChI	1.03	InChI=1S/C11H17N5O2/c12-9-8(16-17)10(15-11(13)14-9)18-6-7-4-2-1-3-5-7/h7H,1-6H2,(H4,12,13,14,15)
InChIKey	InChI	1.03	DGWXOLHKVGDQLN-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB08312
Name	6-CYCLOHEXYLMETHYLOXY-5-NITROSO-PYRIMIDINE-2,4-DIAMINE
Groups	experimental
Synonyms	6-CYCLOHEXYLMETHYLOXY-5-NITROSO-PYRIMIDINE-2,4-DIAMINE

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Cyclin-dependent kinase 2	MENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIRLDTETEGVPSTAIR...	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