General Information of the Compound
| Compound ID |
CP0441102
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| Compound Name |
N-(benzenesulfonyl)-2-[4-[[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]amino]phenyl]acetamide
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| Structure |
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| Formula |
C25H28ClN3O4S
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| Molecular Weight |
502.036
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| Canonical SMILES |
C[C@H](CNc1ccc(CC(=O)NS(=O)(=O)c2ccccc2)cc1)NC[C@H](O)c1cccc(Cl)c1
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| InChI |
InChI=1S/C25H28ClN3O4S/c1-18(27-17-24(30)20-6-5-7-21(26)15-20)16-28-22-12-10-19(11-13-22)14-25(31)29-34(32,33)23-8-3-2-4-9-23/h2-13,15,18,24,27-28,30H,14,16-17H2,1H3,(H,29,31)/t18-,24+/m1/s1
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| InChIKey |
XONYCBGQLPOOHV-KOSHJBKYSA-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