2-IMINOBIOTIN

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: HXH71NRQ5C

Structure
InChI Key WWVANQJRLPIHNS-ZKWXMUAHSA-N
Smile N=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1
InChI
InChI=1S/C10H17N3O2S/c11-10-12-6-5-16-7(9(6)13-10)3-1-2-4-8(14)15/h6-7,9H,1-5H2,(H,14,15)(H3,11,12,13)/t6-,7-,9-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H17N3O2S
Molecular Weight 243.33
AlogP 0.61
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 5.0
Polar Surface Area 85.21
Molecular species ZWITTERION
Aromatic Rings 0.0
Heavy Atoms 16.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Hypoxia-Ischemia, Brain 2 D020925 ClinicalTrials

Related Entries

MCS

Cross References

Resources Reference
CAS NUMBER 13395-35-2
ChEMBL CHEMBL1233598
DrugBank DB03353
EPA CompTox DTXSID20158431
FDA SRS HXH71NRQ5C
PDB IMI
PubChem 128878
SureChEMBL SCHEMBL4113327
ZINC ZINC000012503488
CONTENTS