CYTOCHLOR

Search structure
Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: J14D49ZN55

Structure
InChI Key NGGRGTWYSXYVDK-RRKCRQDMSA-N
Smile Nc1nc(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1Cl
InChI
InChI=1S/C9H12ClN3O4/c10-4-2-13(9(16)12-8(4)11)7-1-5(15)6(3-14)17-7/h2,5-7,14-15H,1,3H2,(H2,11,12,16)/t5-,6+,7+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H12ClN3O4
Molecular Weight 261.67
AlogP -0.88
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 2.0
Polar Surface Area 110.6
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 17.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Head and Neck Neoplasms 1 D006258 ClinicalTrials
Central Nervous System Neoplasms 1 D016543 ClinicalTrials

Related Entries

MCS

Scaffolds

Cross References

Resources Reference
CAS NUMBER 32387-56-7
ChEMBL CHEMBL4297275
DrugBank DB12383
EPA CompTox DTXSID40186099
FDA SRS J14D49ZN55
PubChem 100802
SureChEMBL SCHEMBL1229783
ZINC ZINC000017142058
CONTENTS