General Information of the Compound
| Compound ID |
CP0383039
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| Compound Name |
4-[3-(tert-butylamino)-2-hydroxypropoxy]-2,3-dihydro-1H-1,3-benzodiazol-2-one hydrochloride
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| Synonyms |
(+/-)-CGP-12177A hydrochloride
2H-Benzimidazol-2-one, 4-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)-1,3-dihydro-
4-(3-Tert-Butylamino-2-hydroxypropoxy)benzimidazol-2-one
4-(3-tert-Butylamino-2-hydroxypropoxy)benzimidazol-2-one
4-[3-(tert-butylamino)-2-hydroxypropoxy]-1,3-dihydro-2H-benzimidazol-2-one
4-[3-(tert-butylamino)-2-hydroxypropoxy]-1,3-dihydrobenzimidazol-2-one
81047-99-6
AC1Q6M3F
C14H19N3O3
CHEBI:73288
SpecPlus_000776
Spectrum4_000777
Spectrum_001907
Tbhpbo
[3H]CGP12177
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| Structure |
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| Formula |
C14H21N3O3
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| Molecular Weight |
279.34
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| Canonical SMILES |
CC(C)(C)NCC(O)COc1cccc2[nH]c(=O)[nH]c12
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| InChI |
InChI=1S/C14H21N3O3/c1-14(2,3)15-7-9(18)8-20-11-6-4-5-10-12(11)17-13(19)16-10/h4-6,9,15,18H,7-8H2,1-3H3,(H2,16,17,19)
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| InChIKey |
UMQUQWCJKFOUGV-UHFFFAOYSA-N
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| CAS |
81047-99-6
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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: PT01179, Beta-1 adrenergic receptor
Protein ID: PT01494, Beta-2 adrenergic receptor
Protein ID: PT01493, Beta-3 adrenergic receptor
Clinical Information about the Compound