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853138-65-5 | PG 01
CAS No: 853138-65-5 Catalog No: AG004P8L MDL No:
Product Description
Catalog Number:
AG004P8L
Chemical Name:
PG 01
CAS Number:
853138-65-5
Molecular Formula:
C28H29N3O2
Molecular Weight:
439.5488
IUPAC Name:
2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-2-phenyl-N-(4-propan-2-ylphenyl)acetamide
InChI:
InChI=1S/C28H29N3O2/c1-19(2)20-13-15-23(16-14-20)30-28(33)27(21-9-5-4-6-10-21)31(3)26(32)17-22-18-29-25-12-8-7-11-24(22)25/h4-16,18-19,27,29H,17H2,1-3H3,(H,30,33)
InChI Key:
PQAYCXMQTUEDRD-UHFFFAOYSA-N
SMILES:
O=C(C(N(C(=O)Cc1c[nH]c2c1cccc2)C)c1ccccc1)Nc1ccc(cc1)C(C)C
Properties
Complexity:
652
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
439.226g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
439.559g/mol
Monoisotopic Mass:
439.226g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
65.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
Literature
| Title | Journal |
|---|---|
| Fluorinated ΔF508-CFTR correctors and potentiators for PET imaging. | Bioorganic & medicinal chemistry letters 20120215 |
| Chloride channels as drug targets. | Nature reviews. Drug discovery 20090201 |
| Phenylglycine and sulfonamide correctors of defective delta F508 and G551D cystic fibrosis transmembrane conductance regulator chloride-channel gating. | Molecular pharmacology 20050501 |
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