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RBPI-3

CAT: 0931-T34271-03Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T34271-03Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1355339-06-8
Target
Others
Related Pathways
Others
Bioactivity
RBPI-3 is a canonical poly (ADP-ribose) glycohydrolase.
Smiles
O=C1\C(\C=2C(N1CC3=C(Cl)C=CC=C3Cl)=CC=C(Cl)C2)=C/4\C(=O)N(CCC(O)=O)C(=S)S4
Molecular Formula
C21H13Cl3N2O4S2
Molecular Weight
527.83
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

3-{(5z)-5-[5-Chloro-1-(2,6-Dichlorobenzyl)-2-Oxo-1,2-Dihydro-3h-Indol-3-Ylidene]-4-Oxo-2-Thioxo-1,3-Thiazolidin-3-Yl}propanoic Acid
CAS Number1355339-06-8
PubChem CID76850155
IUPAC Name3-[(5Z)-5-[5-chloro-1-[(2,6-dichlorophenyl)methyl]-2-oxoindol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
Molecular FormulaC21H13Cl3N2O4S2
Molecular Weight527.8
XLogP4.7
Topological Polar Surface Area135
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count32
Formal Charge0
Complexity860
SMILES
C1=CC(=C(C(=C1)Cl)CN2C3=C(C=C(C=C3)Cl)/C(=C/4\C(=O)N(C(=S)S4)CCC(=O)O)/C2=O)Cl
InChI
InChI=1S/C21H13Cl3N2O4S2/c22-10-4-5-15-11(8-10)17(18-20(30)25(21(31)32-18)7-6-16(27)28)19(29)26(15)9-12-13(23)2-1-3-14(12)24/h1-5,8H,6-7,9H2,(H,27,28)/b18-17-
InChIKey
YESAJFJEXWEXAO-ZCXUNETKSA-N
Chemical Structure
2D Structure
2D structure of 3-{(5z)-5-[5-Chloro-1-(2,6-Dichlorobenzyl)-2-Oxo-1,2-Dihydro-3h-Indol-3-Ylidene]-4-Oxo-2-Thioxo-1,3-Thiazolidin-3-Yl}propanoic Acid
CAS: 1355339-06-8
CID: 76850155
Formula: C21H13Cl3N2O4S2
MW: 527.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight527.8
XLogP34.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass525.938232
Monoisotopic Mass525.938232
Topological Polar Surface Area135 Ų
Heavy Atom Count32
Formal Charge0
Complexity860
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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