General Information of the Compound
| Compound ID |
CP0497039
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| Compound Name |
1-[4-[(2S)-2-hydroxy-2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]ethyl]phenyl]-3-phenylurea
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| Structure |
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| Formula |
C24H27N3O4
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| Molecular Weight |
421.497
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| Canonical SMILES |
O[C@@H](CN[C@@H](O)Cc1ccc(NC(=O)Nc2ccccc2)cc1)COc1ccccc1
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| InChI |
InChI=1S/C24H27N3O4/c28-21(17-31-22-9-5-2-6-10-22)16-25-23(29)15-18-11-13-20(14-12-18)27-24(30)26-19-7-3-1-4-8-19/h1-14,21,23,25,28-29H,15-17H2,(H2,26,27,30)/t21-,23-/m0/s1
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| InChIKey |
KHTYUEYHICYTDU-GMAHTHKFSA-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