General Information of the Compound
| Compound ID |
CP0524162
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| Compound Name |
N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-4-(2-oxo-3-pentylimidazolidin-1-yl)benzenesulfonamide
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| Structure |
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| Formula |
C29H37N5O4S
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| Molecular Weight |
551.713
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| Canonical SMILES |
CCCCCN1CCN(C1=O)c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
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| InChI |
InChI=1S/C29H37N5O4S/c1-2-3-4-18-33-19-20-34(29(33)36)26-11-13-27(14-12-26)39(37,38)32-25-9-7-23(8-10-25)15-17-31-22-28(35)24-6-5-16-30-21-24/h5-14,16,21,28,31-32,35H,2-4,15,17-20,22H2,1H3/t28-/m0/s1
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| InChIKey |
SROLEUZTAAWHPK-NDEPHWFRSA-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