General Information of the Compound
| Compound ID |
CP0480481
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| Compound Name |
N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]propane-2-sulfonamide
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| Structure |
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| Formula |
C18H25N3O3S
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| Molecular Weight |
363.483
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| Canonical SMILES |
CC(C)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
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| InChI |
InChI=1S/C18H25N3O3S/c1-14(2)25(23,24)21-17-7-5-15(6-8-17)9-11-20-13-18(22)16-4-3-10-19-12-16/h3-8,10,12,14,18,20-22H,9,11,13H2,1-2H3/t18-/m0/s1
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| InChIKey |
WKOPAYFSYFJLIR-SFHVURJKSA-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