General Information of the Compound
| Compound ID |
CP0103437
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| Compound Name |
Benzenesulfonic acid 3-(2-{(R)-(R)-2-hydroxy-2-[3-(thiophene-2-sulfonylamino)-phenyl]-ethylamino}-propyl)-1H-indol-7-yl ester
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| Structure |
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| Formula |
C29H29N3O6S3
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| Molecular Weight |
611.767
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| Canonical SMILES |
C[C@H](Cc1c[nH]c2c(OS(=O)(=O)c3ccccc3)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1
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| InChI |
InChI=1S/C29H29N3O6S3/c1-20(30-19-26(33)21-8-5-9-23(17-21)32-40(34,35)28-14-7-15-39-28)16-22-18-31-29-25(22)12-6-13-27(29)38-41(36,37)24-10-3-2-4-11-24/h2-15,17-18,20,26,30-33H,16,19H2,1H3/t20-,26+/m1/s1
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| InChIKey |
GCQVZQCNVVPWFA-IBVKSMDESA-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