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AZD8165

CAT: 0931-T30263-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T30263-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1201686-72-7
Target
Others
Related Pathways
Others
Bioactivity
AZD8165 is a bioactive chemical.
Smiles
C(NC(=O)[C@H]1N(C([C@H](OC(CC)=O)C2=CC=C(F)C=C2)=O)N=CC1)C3=C(C=CC(Cl)=C3)N4C=NN=N4
Molecular Formula
C23H21ClFN7O4
Molecular Weight
513.91
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Azd-8165

AZD-8165 is under investigation in clinical trial NCT01150812 (Oral AZD8165 After Single Oral Ascending Doses in Healthy Male Subjects).

CAS Number1201686-72-7
PubChem CID44548240
IUPAC Name[(1R)-2-[(3S)-3-[[5-chloro-2-(tetrazol-1-yl)phenyl]methylcarbamoyl]-3,4-dihydropyrazol-2-yl]-1-(4-fluorophenyl)-2-oxoethyl] propanoate
Molecular FormulaC23H21ClFN7O4
Molecular Weight513.9
XLogP2.2
Topological Polar Surface Area132
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count9
Heavy Atom Count36
Formal Charge0
Complexity828
SMILES
CCC(=O)O[C@H](C1=CC=C(C=C1)F)C(=O)N2[C@@H](CC=N2)C(=O)NCC3=C(C=CC(=C3)Cl)N4C=NN=N4
InChI
InChI=1S/C23H21ClFN7O4/c1-2-20(33)36-21(14-3-6-17(25)7-4-14)23(35)32-19(9-10-28-32)22(34)26-12-15-11-16(24)5-8-18(15)31-13-27-29-30-31/h3-8,10-11,13,19,21H,2,9,12H2,1H3,(H,26,34)/t19-,21+/m0/s1
InChIKey
YUHNXUAATAMVKD-PZJWPPBQSA-N
Chemical Structure
2D Structure
2D structure of Azd-8165
CAS: 1201686-72-7
CID: 44548240
Formula: C23H21ClFN7O4
MW: 513.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight513.9
XLogP32.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count9
Exact Mass513.1327580
Monoisotopic Mass513.1327580
Topological Polar Surface Area132 Ų
Heavy Atom Count36
Formal Charge0
Complexity828
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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