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CC-115

CAT: 0926-DZB01315-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0926-DZB01315-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1228013-15-7
MDL Number
MFCD29036965
Smiles
CCN1C (=O) CNC2=NC=C (N=C21) C3=C (N=C (C=C3) C4=NC=NN4) C
Molecular Formula
C16H16N8O
Molecular Weight
336.35 g/mol
Controlled
No

Chemical Information

Cc-115

CC-115 has been used in trials studying the treatment of Prostate Cancer, Neoplasm Metastasis, Ewing's Osteosarcoma, Glioblastoma Multiforme, and Chronic Lymphocytic Leukemia, among others.

CAS Number1228013-15-7
PubChem CID58298318
IUPAC Name5-ethyl-3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one
Molecular FormulaC16H16N8O
Molecular Weight336.35
XLogP0.7
Topological Polar Surface Area113
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count25
Formal Charge0
Complexity491
SMILES
CCN1C(=O)CNC2=NC=C(N=C21)C3=C(N=C(C=C3)C4=NC=NN4)C
InChI
InChI=1S/C16H16N8O/c1-3-24-13(25)7-18-15-16(24)22-12(6-17-15)10-4-5-11(21-9(10)2)14-19-8-20-23-14/h4-6,8H,3,7H2,1-2H3,(H,17,18)(H,19,20,23)
InChIKey
GMYLVKUGJMYTFB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cc-115
CAS: 1228013-15-7
CID: 58298318
Formula: C16H16N8O
MW: 336.35
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight336.35
XLogP30.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass336.14470716
Monoisotopic Mass336.14470716
Topological Polar Surface Area113 Ų
Heavy Atom Count25
Formal Charge0
Complexity491
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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CatalogName
B6114-25CC-115

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