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SSJ-183

CAT: 0931-T24835-04Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T24835-04Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1187533-34-1
Target
Parasite, Antibiotic
Related Pathways
Microbiology/Virology
Purity
0.9983
Bioactivity
SSJ-183 is a low-toxicity and orally available and anti-malarial drug with an IC50 = 7.6 nM against P. falciparum and no lethality at doses up to 2000 mg/kg po.
Smiles
N=1C=CC(N=C2C=C3OC4=CC(=CC=C4N=C3C=5C=CC=CC25)N(CC)CC)=CC1
Molecular Formula
C25H22N4O
Molecular Weight
394.47
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Ssj-183

an antimalarial; structure in first source

CAS Number1187533-34-1
PubChem CID44226912
IUPAC NameN,N-diethyl-5-pyridin-4-yliminobenzo[a]phenoxazin-9-amine
Molecular FormulaC25H22N4O
Molecular Weight394.5
XLogP4.5
Topological Polar Surface Area50.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count30
Formal Charge0
Complexity704
SMILES
CCN(CC)C1=CC2=C(C=C1)N=C3C4=CC=CC=C4C(=NC5=CC=NC=C5)C=C3O2
InChI
InChI=1S/C25H22N4O/c1-3-29(4-2)18-9-10-21-23(15-18)30-24-16-22(27-17-11-13-26-14-12-17)19-7-5-6-8-20(19)25(24)28-21/h5-16H,3-4H2,1-2H3
InChIKey
HBSWMATYASLRBW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ssj-183
CAS: 1187533-34-1
CID: 44226912
Formula: C25H22N4O
MW: 394.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight394.5
XLogP34.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass394.17936134
Monoisotopic Mass394.17936134
Topological Polar Surface Area50.1 Ų
Heavy Atom Count30
Formal Charge0
Complexity704
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes