General Information of the Compound
| Compound ID |
CP0457339
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| Compound Name |
N-[4-[2-[[(2S)-2-hydroxy-3-pyridin-3-yloxypropyl]amino]ethyl]phenyl]-4-propan-2-ylbenzenesulfonamide
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| Structure |
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| Formula |
C25H31N3O4S
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| Molecular Weight |
469.607
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| Canonical SMILES |
CC(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2cccnc2)cc1
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| InChI |
InChI=1S/C25H31N3O4S/c1-19(2)21-7-11-25(12-8-21)33(30,31)28-22-9-5-20(6-10-22)13-15-27-16-23(29)18-32-24-4-3-14-26-17-24/h3-12,14,17,19,23,27-29H,13,15-16,18H2,1-2H3/t23-/m0/s1
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| InChIKey |
BVMFDIYNCISFGG-QHCPKHFHSA-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