General Information of the Compound
| Compound ID |
CP0404587
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| Compound Name |
N-[4-[2-[[(2S)-2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]ethyl]phenyl]methanesulfonamide
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| Structure |
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| Formula |
C18H24N2O5S
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| Molecular Weight |
380.466
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| Canonical SMILES |
CS(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
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| InChI |
InChI=1S/C18H24N2O5S/c1-26(23,24)20-15-4-2-14(3-5-15)10-11-19-12-17(22)13-25-18-8-6-16(21)7-9-18/h2-9,17,19-22H,10-13H2,1H3/t17-/m0/s1
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| InChIKey |
KBGPQSGWIQJEJK-KRWDZBQOSA-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