General Information of the Compound
| Compound ID |
CP0442243
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| Compound Name |
3-[[4-[(2S)-3-hydroxy-2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]propyl]phenyl]carbamoylamino]benzoic acid
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| Structure |
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| Formula |
C26H29N3O6
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| Molecular Weight |
479.533
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| Canonical SMILES |
OC[C@H](Cc1ccc(NC(=O)Nc2cccc(c2)C(O)=O)cc1)NC[C@H](O)COc1ccccc1
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| InChI |
InChI=1S/C26H29N3O6/c30-16-22(27-15-23(31)17-35-24-7-2-1-3-8-24)13-18-9-11-20(12-10-18)28-26(34)29-21-6-4-5-19(14-21)25(32)33/h1-12,14,22-23,27,30-31H,13,15-17H2,(H,32,33)(H2,28,29,34)/t22-,23-/m0/s1
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| InChIKey |
IXYADUVJCRLTHX-GOTSBHOMSA-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: PT01493, Beta-3 adrenergic receptor