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Cirtociclib (BLU-222) 10mg

CAT: 0628-A24275-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0628-A24275-10Size:10 mg
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CAS Number
2888704-84-3

Chemical Information

Certociclib

Certociclib is a small molecule drug. Certociclib is under investigation in clinical trial NCT05252416 ((VELA) Study of BLU-222 in Advanced Solid Tumors). Certociclib has a monoisotopic molecular weight of 365.14 Da.

CAS Number2888704-84-3
PubChem CID168752082
IUPAC NameN-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-1-(oxan-4-ylmethyl)pyrazolo[3,4-b]pyrazin-6-amine
Molecular FormulaC15H17F2N7O2
Molecular Weight365.34
XLogP2.1
Topological Polar Surface Area103
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Heavy Atom Count26
Formal Charge0
Complexity458
SMILES
C1COCCC1CN2C3=NC(=CN=C3C=N2)NC4=CC(=NN4)OC(F)F
InChI
InChI=1S/C15H17F2N7O2/c16-15(17)26-13-5-11(22-23-13)20-12-7-18-10-6-19-24(14(10)21-12)8-9-1-3-25-4-2-9/h5-7,9,15H,1-4,8H2,(H2,20,21,22,23)
InChIKey
IFJSYTKOMJJYNP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Certociclib
CAS: 2888704-84-3
CID: 168752082
Formula: C15H17F2N7O2
MW: 365.34
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight365.34
XLogP32.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Exact Mass365.14117913
Monoisotopic Mass365.14117913
Topological Polar Surface Area103 Ų
Heavy Atom Count26
Formal Charge0
Complexity458
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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Alternative Products

CatalogName
GTR19231977-01BLU-222
HY-160701-01Cirtociclib
B8391-100BLU-554
BA6329-1BLU-945
FB167312-01BLU 667
MBS132903BLU-782
bs-6481C-01BLU-9931

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