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Chemical structure of SP-471P

GC75291

SP-471P

Also known as 3-[9-[(3-bromophenyl)methyl]-6-[3-[(Z)-N'-hydroxycarbamimidoyl]phenyl]carbazol-3-yl]-N'-hydroxybenzenecarboximidamide

SP-471P is a potent dengue virus (DENV) protease inhibitor with EC50s of 5·9 μM, 1·4 μM, 5·1 μM and 1·7 μM for DENV1, DENV2, DENV3 and DENV4, respectively and CC50 value over 100 μM

ChemicalCAS2768011-36-3MW604.5FormulaC33H26BrN5O2
CAS number
2768011-36-3
Molecular weight
604.5
Formula
C33H26BrN5O2
InChIKey
IFJUAQPWGDLDDD-UHFFFAOYSA-N
Catalogue number
GC75291
Brand
GLPBIO
Computed properties PubChem CID 163322263 · XLogP 7.1 · TPSA 122 Ų · H-bond donors 4
XLogP
7.1
TPSA
122 Ų
H-bond donors
4
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
41

SMILES C1=CC(=CC(=C1)Br)CN2C3=C(C4=C2C=CC(=C4)C5=CC(=CC=C5)/C(=N/O)/N)C=C(C=C3)C6=CC(=CC=C6)/C(=N/O)/N

Computed descriptors from PubChem (CID 163322263), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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