General Information of the Compound
| Compound ID |
CP0442303
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| Compound Name |
1-cyclohexyl-3-[4-[(2S)-3-hydroxy-2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]propyl]phenyl]urea
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| Structure |
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| Formula |
C25H35N3O4
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| Molecular Weight |
441.572
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| Canonical SMILES |
OC[C@H](Cc1ccc(NC(=O)NC2CCCCC2)cc1)NC[C@H](O)COc1ccccc1
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| InChI |
InChI=1S/C25H35N3O4/c29-17-22(26-16-23(30)18-32-24-9-5-2-6-10-24)15-19-11-13-21(14-12-19)28-25(31)27-20-7-3-1-4-8-20/h2,5-6,9-14,20,22-23,26,29-30H,1,3-4,7-8,15-18H2,(H2,27,28,31)/t22-,23-/m0/s1
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| InChIKey |
YDZLVMCOHQCQRG-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