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Chemical structure of BCH001

GC62863

BCH001

Also known as 2-[[3-ethoxycarbonyl-6-(trifluoromethoxy)quinolin-4-yl]amino]benzoic acid

BCH001, a quinoline derivative, is a specific PAPD5 inhibitor

ChemicalCAS384859-58-9MW420.34FormulaC20H15F3N2O5
CAS number
384859-58-9
Molecular weight
420.34
Formula
C20H15F3N2O5
Solubility
DMSO : 125 mg/mL (297·38 mM; Need ultrasonic)
InChIKey
FWJMVZAVAUGMDX-UHFFFAOYSA-N
Catalogue number
GC62863
Brand
GLPBIO
Computed properties PubChem CID 1043578 · XLogP 5.2 · TPSA 97.8 Ų · H-bond donors 2
XLogP
5.2
TPSA
97.8 Ų
H-bond donors
2
H-bond acceptors
10
Rotatable bonds
7
Heavy atoms
30

SMILES CCOC(=O)C1=CN=C2C=CC(=CC2=C1NC3=CC=CC=C3C(=O)O)OC(F)(F)F

Computed descriptors from PubChem (CID 1043578), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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