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Tanuxiciclib dihydrochloride

CAT: 0931-T202564-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T202564-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2451957-60-9
Bioactivity
Tanuxiciclib is an inhibitor of cyclin-dependent kinases.
Smiles
FC1=C(C2=CC=C(O)C(C3=CC(C)=NC(N)=N3)=N2)C=CN=C1N.Cl.Cl
Molecular Formula
C15H15Cl2FN6O
Molecular Weight
385.22
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Phc654VP6N
CAS Number2451957-60-9
PubChem CID155923089
IUPAC Name6-(2-amino-3-fluoro-4-pyridinyl)-2-(2-amino-6-methylpyrimidin-4-yl)pyridin-3-ol;dihydrochloride
Molecular FormulaC15H15Cl2FN6O
Molecular Weight385.2
Topological Polar Surface Area124
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Heavy Atom Count25
Formal Charge0
Complexity402
SMILES
CC1=CC(=NC(=N1)N)C2=C(C=CC(=N2)C3=C(C(=NC=C3)N)F)O.Cl.Cl
InChI
InChI=1S/C15H13FN6O.2ClH/c1-7-6-10(22-15(18)20-7)13-11(23)3-2-9(21-13)8-4-5-19-14(17)12(8)16;;/h2-6,23H,1H3,(H2,17,19)(H2,18,20,22);2*1H
InChIKey
MDLCXIRCMNRZNA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Phc654VP6N
CAS: 2451957-60-9
CID: 155923089
Formula: C15H15Cl2FN6O
MW: 385.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight385.2
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Exact Mass384.0668427
Monoisotopic Mass384.0668427
Topological Polar Surface Area124 Ų
Heavy Atom Count25
Formal Charge0
Complexity402
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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