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PF-06873600 50mg

CAT: 0628-A16875-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0628-A16875-50Size:50 mg
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CAS Number
2185857-97-8

Chemical Information

Ebvaciclib

Ebvaciclib is under investigation in clinical trial NCT03519178 (A Study of PF-06873600 in People With Cancer).

CAS Number2185857-97-8
PubChem CID134247638
IUPAC Name6-(difluoromethyl)-8-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one
Molecular FormulaC20H27F2N5O4S
Molecular Weight471.5
XLogP1.4
Topological Polar Surface Area124
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Heavy Atom Count32
Formal Charge0
Complexity859
SMILES
C[C@]1(CCC[C@H]1N2C3=NC(=NC=C3C=C(C2=O)C(F)F)NC4CCN(CC4)S(=O)(=O)C)O
InChI
InChI=1S/C20H27F2N5O4S/c1-20(29)7-3-4-15(20)27-17-12(10-14(16(21)22)18(27)28)11-23-19(25-17)24-13-5-8-26(9-6-13)32(2,30)31/h10-11,13,15-16,29H,3-9H2,1-2H3,(H,23,24,25)/t15-,20-/m1/s1
InChIKey
QIEKHLDZKRQLLN-FOIQADDNSA-N
Chemical Structure
2D Structure
2D structure of Ebvaciclib
CAS: 2185857-97-8
CID: 134247638
Formula: C20H27F2N5O4S
MW: 471.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight471.5
XLogP31.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Exact Mass471.17518186
Monoisotopic Mass471.17518186
Topological Polar Surface Area124 Ų
Heavy Atom Count32
Formal Charge0
Complexity859
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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