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Pelecopan (BCX9930) 50mg

CAT: 0628-A24473-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0628-A24473-50Size:50 mg
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CAS Number
2378380-49-3

Chemical Information

Pelecopan

Pelecopan is a small molecule drug. The usage of the INN stem '-copan' in the name indicates that Pelecopan is a complement receptor antagonist/complement inhibitor. Pelecopan has a monoisotopic molecular weight of 406.13 Da.

CAS Number2378380-49-3
PubChem CID139560984
IUPAC Name2-[2-[[7-[2-(aminomethyl)-3-fluoro-4-pyridinyl]-1-benzofuran-5-yl]methoxy]phenyl]acetic acid
Molecular FormulaC23H19FN2O4
Molecular Weight406.4
XLogP0.5
Topological Polar Surface Area98.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count30
Formal Charge0
Complexity579
SMILES
C1=CC=C(C(=C1)CC(=O)O)OCC2=CC(=C3C(=C2)C=CO3)C4=C(C(=NC=C4)CN)F
InChI
InChI=1S/C23H19FN2O4/c24-22-17(5-7-26-19(22)12-25)18-10-14(9-16-6-8-29-23(16)18)13-30-20-4-2-1-3-15(20)11-21(27)28/h1-10H,11-13,25H2,(H,27,28)
InChIKey
AUARNXJEAZFQCQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pelecopan
CAS: 2378380-49-3
CID: 139560984
Formula: C23H19FN2O4
MW: 406.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight406.4
XLogP30.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass406.13288525
Monoisotopic Mass406.13288525
Topological Polar Surface Area98.6 Ų
Heavy Atom Count30
Formal Charge0
Complexity579
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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