General Information of the Compound
| Compound ID |
CP0384608
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| Compound Name |
4-[(2S)-2-hydroxy-3-(propan-2-ylamino)propoxy]benzene-1,2-diol
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| Structure |
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| Formula |
C12H19NO4
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| Molecular Weight |
241.287
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| Canonical SMILES |
CC(C)NC[C@H](O)COc1ccc(O)c(O)c1
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| InChI |
InChI=1S/C12H19NO4/c1-8(2)13-6-9(14)7-17-10-3-4-11(15)12(16)5-10/h3-5,8-9,13-16H,6-7H2,1-2H3/t9-/m0/s1
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| InChIKey |
BTOQOGYPRARWDT-VIFPVBQESA-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: PT06365, Beta-1 adrenergic receptor
Protein ID: PT01494, Beta-2 adrenergic receptor