General Information of the Compound
| Compound ID |
CP0437478
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| Compound Name |
3-[4-[4-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(methanesulfonamido)phenyl]ethyl]amino]piperidin-1-yl]anilino]-3-oxopropanoic acid
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| Structure |
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| Formula |
C23H30N4O7S
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| Molecular Weight |
506.581
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| Canonical SMILES |
CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CNC1CCN(CC1)c1ccc(NC(=O)CC(O)=O)cc1
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| InChI |
InChI=1S/C23H30N4O7S/c1-35(33,34)26-19-12-15(2-7-20(19)28)21(29)14-24-16-8-10-27(11-9-16)18-5-3-17(4-6-18)25-22(30)13-23(31)32/h2-7,12,16,21,24,26,28-29H,8-11,13-14H2,1H3,(H,25,30)(H,31,32)/t21-/m0/s1
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| InChIKey |
BFMYNBIXRFYVEZ-NRFANRHFSA-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