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NSC117079 25mg

CAT: 0628-A16894-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0628-A16894-25Size:25 mg
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CAS Number
500363-63-3

Chemical Information

1-Amino-9,10-dioxo-4-(3-sulfamoylanilino)anthracene-2-sulfonic acid

inhibits PH domain leucine-rich repeat protein phosphatase; structure in first source

CAS Number500363-63-3
PubChem CID272572
IUPAC Name1-amino-9,10-dioxo-4-(3-sulfamoylanilino)anthracene-2-sulfonic acid
Molecular FormulaC20H15N3O7S2
Molecular Weight473.5
XLogP2.1
Topological Polar Surface Area203
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count4
Heavy Atom Count32
Formal Charge0
Complexity972
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC(=CC=C4)S(=O)(=O)N)S(=O)(=O)O)N
InChI
InChI=1S/C20H15N3O7S2/c21-18-15(32(28,29)30)9-14(23-10-4-3-5-11(8-10)31(22,26)27)16-17(18)20(25)13-7-2-1-6-12(13)19(16)24/h1-9,23H,21H2,(H2,22,26,27)(H,28,29,30)
InChIKey
LHSBZAWDPSTOEY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Amino-9,10-dioxo-4-(3-sulfamoylanilino)anthracene-2-sulfonic acid
CAS: 500363-63-3
CID: 272572
Formula: C20H15N3O7S2
MW: 473.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight473.5
XLogP32.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count4
Exact Mass473.03514217
Monoisotopic Mass473.03514217
Topological Polar Surface Area203 Ų
Heavy Atom Count32
Formal Charge0
Complexity972
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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