General Information of the Compound
| Compound ID |
CP0421178
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| Compound Name |
1-[4-[(2S)-3-hydroxy-2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]propyl]phenyl]-3-propan-2-ylurea
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| Structure |
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| Formula |
C22H31N3O4
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| Molecular Weight |
401.507
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| Canonical SMILES |
CC(C)NC(=O)Nc1ccc(C[C@@H](CO)NC[C@H](O)COc2ccccc2)cc1
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| InChI |
InChI=1S/C22H31N3O4/c1-16(2)24-22(28)25-18-10-8-17(9-11-18)12-19(14-26)23-13-20(27)15-29-21-6-4-3-5-7-21/h3-11,16,19-20,23,26-27H,12-15H2,1-2H3,(H2,24,25,28)/t19-,20-/m0/s1
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| InChIKey |
WFQCJZNVJUZBFB-PMACEKPBSA-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