General Information of the Compound
| Compound ID |
CP0501137
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| Compound Name |
(R,R)-(+)-{4-[2-{[2-(3-bromoisoxazol-5-yl)-2-hydroxyethyl]-amino}propyl]phenoxy}acetic acid
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| Structure |
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| Formula |
C16H19BrN2O5
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| Molecular Weight |
399.241
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| Canonical SMILES |
C[C@H](Cc1ccc(OCC(O)=O)cc1)NC[C@@H](O)c1cc(Br)no1
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| InChI |
InChI=1S/C16H19BrN2O5/c1-10(18-8-13(20)14-7-15(17)19-24-14)6-11-2-4-12(5-3-11)23-9-16(21)22/h2-5,7,10,13,18,20H,6,8-9H2,1H3,(H,21,22)/t10-,13-/m1/s1
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| InChIKey |
KCHQLMBKWLCKFU-ZWNOBZJWSA-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