General Information of the Compound
| Compound ID |
CP0418662
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| Compound Name |
4-(2-(1-(4-ethylphenyl)-2-methylpropan-2-ylamino)-1-hydroxyethyl)-2-(hydroxymethyl)phenol
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| Structure |
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| Formula |
C21H29NO3
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| Molecular Weight |
343.467
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| Canonical SMILES |
CCc1ccc(CC(C)(C)NCC(O)c2ccc(O)c(CO)c2)cc1
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| InChI |
InChI=1S/C21H29NO3/c1-4-15-5-7-16(8-6-15)12-21(2,3)22-13-20(25)17-9-10-19(24)18(11-17)14-23/h5-11,20,22-25H,4,12-14H2,1-3H3
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| InChIKey |
INKVULNHJBATSM-UHFFFAOYSA-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