General Information of the Compound
| Compound ID |
CP0536855
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| Compound Name |
US10017502, Example 4b
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| Synonyms |
(S)-1 [PMID: 30596500]
1850385-64-6
2-((3S)-7-FLUORO-4-((3-OXO-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-6-YL)CARBONYL)-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-3-YL)-N-METHYLACETAMIDE
2-[(3S)-7-Fluoro-4-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)-2,3-dihydro-1,4-benzoxazin-3-yl]-N-methylacetamide
2-[(3~{S})-7-fluoranyl-4-[(3-oxidanylidene-4~{H}-1,4-benzoxazin-6-yl)carbonyl]-2,3-dihydro-1,4-benzoxazin-3-yl]-~{N}-methyl-ethanamide
2-{(3S)-7-Fluoro-4-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)carbonyl]-3,4-dihydro-2H-1,4-benzoxazin-3-yl}-N-methylacetamide
2H-1,4-Benzoxazine-3-acetamide, 4-((3,4-dihydro-3-oxo-2H-1,4-benzoxazin-6-yl)carbonyl)-7-fluoro-3,4-dihydro-N-methyl-, (3S)-
6C9UKZ0CYE
AC-36749
AKOS040759623
AZD 9977 [WHO-DD]
AZD-9977
AZD9977
Azd 9977
BALCINRENONE
BALCINRENONE [INN]
BDBM238159
CHEMBL3916929
CS-0077469
DB15418
ECV
F82308
GTPL11281
HY-120274
MBKYLPOPYYLTNW-ZDUSSCGKSA-N
MS-26766
SCHEMBL17363859
UNII-6C9UKZ0CYE
US9394291, 4a
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| Structure |
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| Formula |
C20H18FN3O5
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| Molecular Weight |
399.378
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| Canonical SMILES |
CNC(=O)C[C@H]1COc2cc(F)ccc2N1C(=O)c1ccc2OCC(=O)Nc2c1
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| InChI |
InChI=1S/C20H18FN3O5/c1-22-18(25)8-13-9-28-17-7-12(21)3-4-15(17)24(13)20(27)11-2-5-16-14(6-11)23-19(26)10-29-16/h2-7,13H,8-10H2,1H3,(H,22,25)(H,23,26)/t13-/m0/s1
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| InChIKey |
MBKYLPOPYYLTNW-ZDUSSCGKSA-N
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| CAS |
1850385-64-6
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| Physicochemical Property |
"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). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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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 |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01154, Mineralocorticoid receptor
Cell-based Assay
Protein ID: PT01631, Mineralocorticoid receptor
Clinical Information about the Compound