General Information of the Compound
| Compound ID |
CP0383033
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| Compound Name |
N-[4-[2-[[(2S)-3-(6-aminopyridin-3-yl)oxy-2-hydroxypropyl]amino]ethyl]phenyl]-4-propan-2-ylbenzenesulfonamide
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| Structure |
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| Formula |
C25H32N4O4S
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| Molecular Weight |
484.622
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| Canonical SMILES |
CC(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(N)nc2)cc1
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| InChI |
InChI=1S/C25H32N4O4S/c1-18(2)20-5-10-24(11-6-20)34(31,32)29-21-7-3-19(4-8-21)13-14-27-15-22(30)17-33-23-9-12-25(26)28-16-23/h3-12,16,18,22,27,29-30H,13-15,17H2,1-2H3,(H2,26,28)/t22-/m0/s1
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| InChIKey |
RSGITHTZWHPLBS-QFIPXVFZSA-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