General Information of the Compound
| Compound ID |
CP0454848
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| Compound Name |
N-[4-[2-[[(2S)-2-hydroxy-3-pyridin-3-yloxypropyl]amino]ethyl]phenyl]-4-methoxybenzenesulfonamide
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| Structure |
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| Formula |
C23H27N3O5S
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| Molecular Weight |
457.552
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| Canonical SMILES |
COc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2cccnc2)cc1
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| InChI |
InChI=1S/C23H27N3O5S/c1-30-21-8-10-23(11-9-21)32(28,29)26-19-6-4-18(5-7-19)12-14-25-15-20(27)17-31-22-3-2-13-24-16-22/h2-11,13,16,20,25-27H,12,14-15,17H2,1H3/t20-/m0/s1
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| InChIKey |
LWLTZYDRRSELFO-FQEVSTJZSA-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