General Information of the Compound
| Compound ID |
CP0469284
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| Compound Name |
[3-[(2R)-2-[[(2R)-2-[3-(benzenesulfonamido)phenyl]-2-hydroxyethyl]amino]propyl]-1H-indol-7-yl] methanesulfonate
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| Structure |
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| Formula |
C26H29N3O6S2
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| Molecular Weight |
543.667
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| Canonical SMILES |
C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2ccccc2)c1
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| InChI |
InChI=1S/C26H29N3O6S2/c1-18(14-20-16-28-26-23(20)12-7-13-25(26)35-36(2,31)32)27-17-24(30)19-8-6-9-21(15-19)29-37(33,34)22-10-4-3-5-11-22/h3-13,15-16,18,24,27-30H,14,17H2,1-2H3/t18-,24+/m1/s1
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| InChIKey |
BORUUXXGFWWZKT-KOSHJBKYSA-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: PT01493, Beta-3 adrenergic receptor