General Information of the Compound
| Compound ID |
CP0483832
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| Compound Name |
(S,R)-(-)-1-(3-bromoisoxazol-5-yl)-2-{[2-(4-butoxyphenyl)-1-methylethyl]amino}ethanol
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| Structure |
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| Formula |
C18H25BrN2O3
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| Molecular Weight |
397.313
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| Canonical SMILES |
CCCCOc1ccc(C[C@@H](C)NC[C@H](O)c2cc(Br)no2)cc1
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| InChI |
InChI=1S/C18H25BrN2O3/c1-3-4-9-23-15-7-5-14(6-8-15)10-13(2)20-12-16(22)17-11-18(19)21-24-17/h5-8,11,13,16,20,22H,3-4,9-10,12H2,1-2H3/t13-,16+/m1/s1
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| InChIKey |
UEYOHIPQLGJBMH-CJNGLKHVSA-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
Protein ID: PT01179, Beta-1 adrenergic receptor
Protein ID: PT01494, Beta-2 adrenergic receptor
Protein ID: PT01493, Beta-3 adrenergic receptor