General Information of the Compound
| Compound ID |
CP0486040
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| Compound Name |
2-[3-(2-{(R)-(R)-2-Hydroxy-2-[3-(thiophene-2-sulfonylamino)-phenyl]-ethylamino}-propyl)-1H-indol-7-yloxy]-N,N-dimethyl-acetamide
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| Structure |
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| Formula |
C27H32N4O5S2
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| Molecular Weight |
556.71
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| Canonical SMILES |
C[C@H](Cc1c[nH]c2c(OCC(=O)N(C)C)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1
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| InChI |
InChI=1S/C27H32N4O5S2/c1-18(13-20-15-29-27-22(20)9-5-10-24(27)36-17-25(33)31(2)3)28-16-23(32)19-7-4-8-21(14-19)30-38(34,35)26-11-6-12-37-26/h4-12,14-15,18,23,28-30,32H,13,16-17H2,1-3H3/t18-,23+/m1/s1
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| InChIKey |
IZAYFWKVBBNBFP-JPYJTQIMSA-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
Protein ID: PT01493, Beta-3 adrenergic receptor