2-[2-(8-bromo-4-hydroxy-2,7-dimethyl-2H-1,3-benzoxazin-5-yl)-1-methyl-3-(propan-2-yl)cyclopentyl]acetic acid
AlkaPlorer ID: AK154630
Synonym: None
IUPAC Name: 2-[(1S,2S,3R)-2-[(2R)-8-bromo-2,7-dimethyl-4-oxo-2,3-dihydro-1,3-benzoxazin-5-yl]-1-methyl-3-propan-2-ylcyclopentyl]acetic acid
Structure
SMILES: CC1=C(Br)C2=C(C(O)=N[C@@H](C)O2)C([C@H]2[C@@H](C(C)C)CC[C@@]2(C)CC(=O)O)=C1
InChI: InChI=1S/C21H28BrNO4/c1-10(2)13-6-7-21(5,9-15(24)25)17(13)14-8-11(3)18(22)19-16(14)20(26)23-12(4)27-19/h8,10,12-13,17H,6-7,9H2,1-5H3,(H,23,26)(H,24,25)/t12-,13-,17-,21+/m1/s1
InChIKey: VXOZBGHKRBOOAB-APVNGSAXSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 438.3620000000003
TPSA？: 79.12
MolLogP？: 5.431120000000004
Number of H-Donors: 2
Number of H-Acceptors: 3
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Bacillus subtilis | Bacillus subtilis | IZ | 3.0 | mm | 10.1021/np9903494 |
| Candida albicans | Candida albicans | Activity | nan | None | 10.1021/np9903494 |
| Enterovirus C | Enterovirus C | Activity | nan | None | 10.1021/np9903494 |
| Escherichia coli | Escherichia coli | Activity | nan | None | 10.1021/np9903494 |
| Herpesviridae sp. | Herpesviridae sp. | Activity | nan | None | 10.1021/np9903494 |
| Mus musculus | P388 | IC50 | 74200.0 | nM | 10.1021/np9903494 |
| Trichophyton mentagrophytes | Trichophyton mentagrophytes | Activity | nan | None | 10.1021/np9903494 |