General Information of the Compound
| Compound ID |
CP0383518
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| Compound Name |
N-[4-[2-[[(2S)-3-(6-aminopyridin-3-yl)oxy-2-hydroxypropyl]amino]ethyl]phenyl]quinoline-3-sulfonamide
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| Structure |
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| Formula |
C25H27N5O4S
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| Molecular Weight |
493.589
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| Canonical SMILES |
Nc1ccc(OC[C@@H](O)CNCCc2ccc(NS(=O)(=O)c3cnc4ccccc4c3)cc2)cn1
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| InChI |
InChI=1S/C25H27N5O4S/c26-25-10-9-22(15-29-25)34-17-21(31)14-27-12-11-18-5-7-20(8-6-18)30-35(32,33)23-13-19-3-1-2-4-24(19)28-16-23/h1-10,13,15-16,21,27,30-31H,11-12,14,17H2,(H2,26,29)/t21-/m0/s1
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| InChIKey |
XVHHXHFRYXZSGS-NRFANRHFSA-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