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DPC-963

CAT: 0931-T27204-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T27204-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
214287-90-8
Target
Others, HIV Protease, Reverse Transcriptase
Related Pathways
Others, Microbiology/Virology, Proteases/Proteasome
Bioactivity
DPC-963 is a RNA-directed DNA polymerase inhibitor.
Smiles
C(#CC1CC1)[C@@]2(C(F)(F)F)C=3C(NC(=O)N2)=CC=C(F)C3F
Molecular Formula
C14H9F5N2O
Molecular Weight
316.23
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Dpc 963

structure in first source

CAS Number214287-90-8
PubChem CID474121
IUPAC Name(4S)-4-(2-cyclopropylethynyl)-5,6-difluoro-4-(trifluoromethyl)-1,3-dihydroquinazolin-2-one
Molecular FormulaC14H9F5N2O
Molecular Weight316.23
XLogP3
Topological Polar Surface Area41.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Heavy Atom Count22
Formal Charge0
Complexity546
SMILES
C1CC1C#C[C@]2(C3=C(C=CC(=C3F)F)NC(=O)N2)C(F)(F)F
InChI
InChI=1S/C14H9F5N2O/c15-8-3-4-9-10(11(8)16)13(14(17,18)19,21-12(22)20-9)6-5-7-1-2-7/h3-4,7H,1-2H2,(H2,20,21,22)/t13-/m0/s1
InChIKey
QCNJQJJFXFJVCX-ZDUSSCGKSA-N
Chemical Structure
2D Structure
2D structure of Dpc 963
CAS: 214287-90-8
CID: 474121
Formula: C14H9F5N2O
MW: 316.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight316.23
XLogP33
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Exact Mass316.06350373
Monoisotopic Mass316.06350373
Topological Polar Surface Area41.1 Ų
Heavy Atom Count22
Formal Charge0
Complexity546
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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