General Information of the Compound
| Compound ID |
CP0451500
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| Compound Name |
2-[[3-[4-[6-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]hexoxy]butyl]phenyl]carbamoylamino]acetic acid
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| Structure |
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| Formula |
C28H41N3O7
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| Molecular Weight |
531.65
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| Canonical SMILES |
OCc1cc(ccc1O)[C@@H](O)CNCCCCCCOCCCCc1cccc(NC(=O)NCC(O)=O)c1
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| InChI |
InChI=1S/C28H41N3O7/c32-20-23-17-22(11-12-25(23)33)26(34)18-29-13-4-1-2-5-14-38-15-6-3-8-21-9-7-10-24(16-21)31-28(37)30-19-27(35)36/h7,9-12,16-17,26,29,32-34H,1-6,8,13-15,18-20H2,(H,35,36)(H2,30,31,37)/t26-/m0/s1
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| InChIKey |
GUDHUVPJKZWKRO-SANMLTNESA-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