General Information of the Compound
| Compound ID |
CP0418025
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| Compound Name |
(2R)-1-[2-[4-[2-(2-aminoethyldisulfanyl)ethoxy]-3-methoxyphenyl]ethylamino]-3-naphthalen-1-yloxypropan-2-ol
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| Structure |
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| Formula |
C26H34N2O4S2
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| Molecular Weight |
502.702
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| Canonical SMILES |
COc1cc(CCNC[C@@H](O)COc2cccc3ccccc23)ccc1OCCSSCCN
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| InChI |
InChI=1S/C26H34N2O4S2/c1-30-26-17-20(9-10-25(26)31-14-16-34-33-15-12-27)11-13-28-18-22(29)19-32-24-8-4-6-21-5-2-3-7-23(21)24/h2-10,17,22,28-29H,11-16,18-19,27H2,1H3/t22-/m1/s1
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| InChIKey |
ZBAVHTZBLFYIAR-JOCHJYFZSA-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: PT06365, Beta-1 adrenergic receptor
Protein ID: PT01494, Beta-2 adrenergic receptor