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BMY-43748 10mg

CAT: 0628-A20710-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0628-A20710-10Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
132195-65-4

Chemical Information

7-[(3S)-3-aminopyrrolidin-1-yl]-1-(2,4-difluorophenyl)-6-fluoro-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid
CAS Number132195-65-4
PubChem CID488361
IUPAC Name7-[(3S)-3-aminopyrrolidin-1-yl]-1-(2,4-difluorophenyl)-6-fluoro-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid
Molecular FormulaC20H17F3N4O3
Molecular Weight418.4
XLogP0.7
Topological Polar Surface Area99.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count3
Heavy Atom Count30
Formal Charge0
Complexity738
SMILES
CC1=C2C(=O)C(=CN(C2=NC(=C1F)N3CC[C@@H](C3)N)C4=C(C=C(C=C4)F)F)C(=O)O
InChI
InChI=1S/C20H17F3N4O3/c1-9-15-17(28)12(20(29)30)8-27(14-3-2-10(21)6-13(14)22)18(15)25-19(16(9)23)26-5-4-11(24)7-26/h2-3,6,8,11H,4-5,7,24H2,1H3,(H,29,30)/t11-/m0/s1
InChIKey
SKYPQEVVXGJKIJ-NSHDSACASA-N
Chemical Structure
2D Structure
2D structure of 7-[(3S)-3-aminopyrrolidin-1-yl]-1-(2,4-difluorophenyl)-6-fluoro-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid
CAS: 132195-65-4
CID: 488361
Formula: C20H17F3N4O3
MW: 418.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight418.4
XLogP30.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count3
Exact Mass418.12527490
Monoisotopic Mass418.12527490
Topological Polar Surface Area99.8 Ų
Heavy Atom Count30
Formal Charge0
Complexity738
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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