General Information of the Compound
| Compound ID |
CP0089815
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| Compound Name |
N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-4-[2-oxo-3-(3-oxo-3-pyrrolidin-1-ylpropyl)imidazolidin-1-yl]benzenesulfonamide
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| Structure |
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| Formula |
C31H38N6O5S
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| Molecular Weight |
606.749
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| Canonical SMILES |
O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)N2CCN(CCC(=O)N3CCCC3)C2=O)cc1)c1cccnc1
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| InChI |
InChI=1S/C31H38N6O5S/c38-29(25-4-3-15-32-22-25)23-33-16-13-24-5-7-26(8-6-24)34-43(41,42)28-11-9-27(10-12-28)37-21-20-36(31(37)40)19-14-30(39)35-17-1-2-18-35/h3-12,15,22,29,33-34,38H,1-2,13-14,16-21,23H2/t29-/m0/s1
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| InChIKey |
QWTOGYQGEDWWIR-LJAQVGFWSA-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