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NA ID: ALA4746677
Chembl Id: CHEMBL4746677
PubChem CID: 54592168
Max Phase: Preclinical
Molecular Formula: C7H16N4O
Molecular Weight: 172.23
Molecule Type: Unknown
Associated Items:
Names and Identifiers Canonical SMILES: CCCCNC(=N)NC(=O)NC
Standard InChI: InChI=1S/C7H16N4O/c1-3-4-5-10-6(8)11-7(12)9-2/h3-5H2,1-2H3,(H4,8,9,10,11,12)
Standard InChI Key: BQWVUIAESBARIM-UHFFFAOYSA-N
Associated Targets(non-human) Molecule Features Natural Product: NoOral: NoChemical Probe: NoParenteral: NoMolecule Type: UnknownTopical: NoFirst In Class: NoBlack Box: NoChirality: NoAvailability: NoProdrug: No
Drug Indications MESH ID MESH Heading EFO IDs EFO Terms Max Phase for Indication References
Mechanisms of Action Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References
Calculated Properties Molecular Weight: 172.23Molecular Weight (Monoisotopic): 172.1324AlogP: 0.24#Rotatable Bonds: 3Polar Surface Area: 77.01Molecular Species: BASEHBA: 2HBD: 4#RO5 Violations: ┄HBA (Lipinski): 5HBD (Lipinski): 4#RO5 Violations (Lipinski): ┄CX Acidic pKa: 11.40CX Basic pKa: 10.23CX LogP: 0.01CX LogD: -2.09Aromatic Rings: ┄Heavy Atoms: 12QED Weighted: 0.28Np Likeness Score: -0.57