General Information of the Compound
| Compound ID |
CP0453602
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| Compound Name |
2-(4-bromo-2-tert-butylphenoxy)acetic acid
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| Synonyms |
(4-bromo-2-tert-butylphenoxy)acetic acid
2-(4-bromo-2-(tert-butyl)phenoxy)acetic acid
2-(4-bromo-2-tert-butylphenoxy)acetic acid
2-[2-(tert-butyl)-4-bromophenoxy]acetic acid
2-[4-BROMO-2-(TERT-BUTYL)PHENOXY]ACETIC ACID
3158AE
425372-86-7
AC1LEXUE
AKOS000273807
ARONIS011292
BBB/316
BDBM50200269
CBMicro_046462
CHEMBL386348
CTK7J5471
GCBNGPDJYUPSBS-UHFFFAOYSA-N
KS-000042GS
MCULE-9342897788
MolPort-000-651-933
Oprea1_576852
Oprea1_645612
SBB043460
SCHEMBL12478128
STK948100
ZINC120478
ZX-AL002245
ZX-AS003555
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| Structure |
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| Formula |
C12H15BrO3
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| Molecular Weight |
287.153
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| Canonical SMILES |
CC(C)(C)c1cc(Br)ccc1OCC(O)=O
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| InChI |
InChI=1S/C12H15BrO3/c1-12(2,3)9-6-8(13)4-5-10(9)16-7-11(14)15/h4-6H,7H2,1-3H3,(H,14,15)
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| InChIKey |
GCBNGPDJYUPSBS-UHFFFAOYSA-N
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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
Clinical Information about the Compound