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CTX-712

CAT: 0931-T62049-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T62049-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2144751-78-8
Target
Others, CDK
Related Pathways
Others, Cell Cycle/Checkpoint
Bioactivity
CTX-712 is a potent inhibitor of cdc2-like kinase (CLK), effectively reducing cancer cell growth and survival.
Smiles
COc1ncnn2ccc(-c3cnc4nc(C)n(Cc5nnc(o5)[C@@H](C)F)c4c3)c12
Molecular Formula
C19H17FN8O2
Molecular Weight
408.39
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Rogocekib

Rogocekib is a small molecule drug. Rogocekib has a monoisotopic molecular weight of 408.15 Da.

CAS Number2144751-78-8
PubChem CID138522180
IUPAC Name2-[(1R)-1-fluoroethyl]-5-[[6-(4-methoxypyrrolo[2,1-f][1,2,4]triazin-5-yl)-2-methylimidazo[4,5-b]pyridin-1-yl]methyl]-1,3,4-oxadiazole
Molecular FormulaC19H17FN8O2
Molecular Weight408.4
XLogP1.6
Topological Polar Surface Area109
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Heavy Atom Count30
Formal Charge0
Complexity605
SMILES
CC1=NC2=C(N1CC3=NN=C(O3)[C@@H](C)F)C=C(C=N2)C4=C5C(=NC=NN5C=C4)OC
InChI
InChI=1S/C19H17FN8O2/c1-10(20)18-26-25-15(30-18)8-27-11(2)24-17-14(27)6-12(7-21-17)13-4-5-28-16(13)19(29-3)22-9-23-28/h4-7,9-10H,8H2,1-3H3/t10-/m1/s1
InChIKey
OENNTZBJPRRGFL-SNVBAGLBSA-N
Chemical Structure
2D Structure
2D structure of Rogocekib
CAS: 2144751-78-8
CID: 138522180
Formula: C19H17FN8O2
MW: 408.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight408.4
XLogP31.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Exact Mass408.14584998
Monoisotopic Mass408.14584998
Topological Polar Surface Area109 Ų
Heavy Atom Count30
Formal Charge0
Complexity605
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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