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Culmerciclib (TQB3616) 10mg

CAT: 0628-A24280-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0628-A24280-10Size:10 mg
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CAS Number
2004705-28-4

Chemical Information

Culmerciclib

Culmerciclib is a small molecule drug. The usage of the INN stem '-ciclib' in the name indicates that Culmerciclib is a cyclin dependant kinase inhibitor. Culmerciclib has a monoisotopic molecular weight of 446.23 Da.

CAS Number2004705-28-4
PubChem CID122544510
IUPAC Name5-fluoro-4-(2-methyl-3-propan-2-ylindazol-5-yl)-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-2-amine
Molecular FormulaC24H27FN8
Molecular Weight446.5
XLogP3.4
Topological Polar Surface Area83.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count33
Formal Charge0
Complexity632
SMILES
CC(C)C1=C2C=C(C=CC2=NN1C)C3=NC(=NC=C3F)NC4=NC=C(C=C4)N5CCNCC5
InChI
InChI=1S/C24H27FN8/c1-15(2)23-18-12-16(4-6-20(18)31-32(23)3)22-19(25)14-28-24(30-22)29-21-7-5-17(13-27-21)33-10-8-26-9-11-33/h4-7,12-15,26H,8-11H2,1-3H3,(H,27,28,29,30)
InChIKey
LLFOBMRPWNABCB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Culmerciclib
CAS: 2004705-28-4
CID: 122544510
Formula: C24H27FN8
MW: 446.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight446.5
XLogP33.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass446.23427106
Monoisotopic Mass446.23427106
Topological Polar Surface Area83.8 Ų
Heavy Atom Count33
Formal Charge0
Complexity632
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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