General Information of the Compound
| Compound ID |
CP0435558
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| Compound Name |
N-[3-[(1R)-2-[[(2R)-1-[7-(2-aminoethoxy)-1H-indol-3-yl]propan-2-yl]amino]-1-hydroxyethyl]phenyl]thiophene-2-sulfonamide
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| Structure |
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| Formula |
C25H30N4O4S2
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| Molecular Weight |
514.673
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| Canonical SMILES |
C[C@H](Cc1c[nH]c2c(OCCN)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1
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| InChI |
InChI=1S/C25H30N4O4S2/c1-17(13-19-15-28-25-21(19)7-3-8-23(25)33-11-10-26)27-16-22(30)18-5-2-6-20(14-18)29-35(31,32)24-9-4-12-34-24/h2-9,12,14-15,17,22,27-30H,10-11,13,16,26H2,1H3/t17-,22+/m1/s1
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| InChIKey |
SHMZYLNMPWDEBQ-VGSWGCGISA-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