General Information of the Compound
| Compound ID |
CP0071879
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| Compound Name |
N-[3-[(1R)-1-hydroxy-2-[[(2R)-1-(7-phenylmethoxy-1H-indol-3-yl)propan-2-yl]amino]ethyl]phenyl]thiophene-2-sulfonamide
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| Structure |
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| Formula |
C30H31N3O4S2
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| Molecular Weight |
561.729
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| Canonical SMILES |
C[C@H](Cc1c[nH]c2c(OCc3ccccc3)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1
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| InChI |
InChI=1S/C30H31N3O4S2/c1-21(16-24-18-32-30-26(24)12-6-13-28(30)37-20-22-8-3-2-4-9-22)31-19-27(34)23-10-5-11-25(17-23)33-39(35,36)29-14-7-15-38-29/h2-15,17-18,21,27,31-34H,16,19-20H2,1H3/t21-,27+/m1/s1
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| InChIKey |
DWPUALIYKUCWGW-ZBLYBZFDSA-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