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GAP-1173149

CAT: 0013-GTR19273475-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19273475-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
GAP-1173149 is an inhibitor of the Chikungunya Virus (CHIKV), targeting the non-structural protein 4 (nsP4) RNA-dependent RNA polymerase.
CAS Number
1622645-58-2
Smiles
O=C1NCC (=O) N1CC (=O) NCC2=NNC3=C2CCCCC3
Molecular Formula
C14H19N5O3
Molecular Weight
305.34
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-(2,5-dioxoimidazolidin-1-yl)-N-(1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-3-ylmethyl)acetamide
CAS Number1622645-58-2
PubChem CID77092569
IUPAC Name2-(2,5-dioxoimidazolidin-1-yl)-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)acetamide
Molecular FormulaC14H19N5O3
Molecular Weight305.33
XLogP0.1
Topological Polar Surface Area107
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count22
Formal Charge0
Complexity469
SMILES
C1CCC2=C(CC1)NN=C2CNC(=O)CN3C(=O)CNC3=O
InChI
InChI=1S/C14H19N5O3/c20-12(8-19-13(21)7-16-14(19)22)15-6-11-9-4-2-1-3-5-10(9)17-18-11/h1-8H2,(H,15,20)(H,16,22)(H,17,18)
InChIKey
WWFPGWUGGWEUCI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(2,5-dioxoimidazolidin-1-yl)-N-(1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-3-ylmethyl)acetamide
CAS: 1622645-58-2
CID: 77092569
Formula: C14H19N5O3
MW: 305.33
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight305.33
XLogP30.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass305.14878949
Monoisotopic Mass305.14878949
Topological Polar Surface Area107 Ų
Heavy Atom Count22
Formal Charge0
Complexity469
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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