General Information of the Compound
Compound ID
CP0362785
Compound Name
6-[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]-4H-1,4-benzoxazin-3-one
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Structure
Formula
C19H17FN2O3
Molecular Weight
340.354
Canonical SMILES
C[C@@H]1CCc2cc(F)ccc2N1C(=O)c1ccc2OCC(=O)Nc2c1
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InChI
InChI=1S/C19H17FN2O3/c1-11-2-3-12-8-14(20)5-6-16(12)22(11)19(24)13-4-7-17-15(9-13)21-18(23)10-25-17/h4-9,11H,2-3,10H2,1H3,(H,21,23)/t11-/m1/s1
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InChIKey
NPUBJZHUTUOHAP-LLVKDONJSA-N
Physicochemical Property
logP
3.1381
Rotatable Bonds
1
Heavy Atom Count
25
Polar Areas
58.64
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
25

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 155550102
ChEMBL ID
CHEMBL4539557
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01154, Mineralocorticoid receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000952 UAS-MR-bla HEK293 Homo sapiens (Human)  1
1
IC50 > 10000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 6309.57 nM