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Pyridostatin 25mg

CAT: 0628-A12717-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0628-A12717-25Size:25 mg
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CAS Number
1085412-37-8

Chemical Information

Pyridostatin

binds telomeric G-quadruplexes; structure in first source

CAS Number1085412-37-8
PubChem CID25227847
IUPAC Name4-(2-aminoethoxy)-2-N,6-N-bis[4-(2-aminoethoxy)quinolin-2-yl]pyridine-2,6-dicarboxamide
Molecular FormulaC31H32N8O5
Molecular Weight596.6
XLogP1.5
Topological Polar Surface Area203
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count11
Rotatable Bond Count13
Heavy Atom Count44
Formal Charge0
Complexity850
SMILES
C1=CC=C2C(=C1)C(=CC(=N2)NC(=O)C3=CC(=CC(=N3)C(=O)NC4=NC5=CC=CC=C5C(=C4)OCCN)OCCN)OCCN
InChI
InChI=1S/C31H32N8O5/c32-9-12-42-19-15-24(30(40)38-28-17-26(43-13-10-33)20-5-1-3-7-22(20)36-28)35-25(16-19)31(41)39-29-18-27(44-14-11-34)21-6-2-4-8-23(21)37-29/h1-8,15-18H,9-14,32-34H2,(H,36,38,40)(H,37,39,41)
InChIKey
VGHSATQVJCTKEF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pyridostatin
CAS: 1085412-37-8
CID: 25227847
Formula: C31H32N8O5
MW: 596.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight596.6
XLogP31.5
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count11
Rotatable Bond Count13
Exact Mass596.24956615
Monoisotopic Mass596.24956615
Topological Polar Surface Area203 Ų
Heavy Atom Count44
Formal Charge0
Complexity850
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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