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A-1062

CAT: 0931-T26462-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T26462-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1821-13-2
Target
Others, Topoisomerase
Related Pathways
Others, DNA Damage/DNA Repair
Bioactivity
A-1062, a resolvase-binding inhibitor, inhibits resolvase binding to the res site.
Smiles
OC=1C=2C(OC(=O)C1SC3=C(O)C=4C(OC3=O)=CC=CC4)=CC=CC2
Molecular Formula
C18H10O6S
Molecular Weight
354.33
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

A 1062

inhibits resolvase binding to the res site; structure given in first source

CAS Number1821-13-2
PubChem CID54703982
IUPAC Name4-hydroxy-3-(4-hydroxy-2-oxochromen-3-yl)sulfanylchromen-2-one
Molecular FormulaC18H10O6S
Molecular Weight354.3
XLogP3.1
Topological Polar Surface Area118
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Heavy Atom Count25
Formal Charge0
Complexity610
SMILES
C1=CC=C2C(=C1)C(=C(C(=O)O2)SC3=C(C4=CC=CC=C4OC3=O)O)O
InChI
InChI=1S/C18H10O6S/c19-13-9-5-1-3-7-11(9)23-17(21)15(13)25-16-14(20)10-6-2-4-8-12(10)24-18(16)22/h1-8,19-20H
InChIKey
JHLUHYNVTIYAKS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of A 1062
CAS: 1821-13-2
CID: 54703982
Formula: C18H10O6S
MW: 354.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight354.3
XLogP33.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Exact Mass354.01980921
Monoisotopic Mass354.01980921
Topological Polar Surface Area118 Ų
Heavy Atom Count25
Formal Charge0
Complexity610
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

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