Structure

InChI Key BIFMNMPSIYHKDN-FJXQXJEOSA-N
Smile C[C@@H](CN1CC(=O)NC(=O)C1)N1CC(=O)NC(=O)C1.Cl
InChI
InChI=1S/C11H16N4O4.ClH/c1-7(15-5-10(18)13-11(19)6-15)2-14-3-8(16)12-9(17)4-14;/h7H,2-6H2,1H3,(H,12,16,17)(H,13,18,19);1H/t7-;/m0./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H17ClN4O4
Molecular Weight 304.73
AlogP -2.71
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 98.82
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 19.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Sarcoma 3 D012509 ClinicalTrials
Inflammatory Breast Neoplasms 3 D058922 ClinicalTrials
Leukemia 3 D007938 ClinicalTrials
Leukemia, Myeloid, Acute 3 D015470 ClinicalTrials
Leukemia, Biphenotypic, Acute 3 D015456 ClinicalTrials
Lymphoma 3 D008223 ClinicalTrials
Central Nervous System Neoplasms 2 D016543 ClinicalTrials
Precursor Cell Lymphoblastic Leukemia-Lymphoma 1 D054198 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 50224
ChEMBL CHEMBL1200778
EPA CompTox DTXSID60164152
FDA SRS 5346058Q7S
SureChEMBL SCHEMBL18188