General Information of the Compound
| Compound ID |
CP0437496
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| Compound Name |
N-[4-[2-[[(2S)-3-(6-aminopyridin-3-yl)oxy-2-hydroxypropyl]amino]ethyl]phenyl]benzenesulfonamide
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| Structure |
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| Formula |
C22H26N4O4S
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| Molecular Weight |
442.541
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| Canonical SMILES |
Nc1ccc(OC[C@@H](O)CNCCc2ccc(NS(=O)(=O)c3ccccc3)cc2)cn1
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| InChI |
InChI=1S/C22H26N4O4S/c23-22-11-10-20(15-25-22)30-16-19(27)14-24-13-12-17-6-8-18(9-7-17)26-31(28,29)21-4-2-1-3-5-21/h1-11,15,19,24,26-27H,12-14,16H2,(H2,23,25)/t19-/m0/s1
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| InChIKey |
XIEQQRICTMMFEK-IBGZPJMESA-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