General Information of the Compound
| Compound ID |
CP0130252
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| Compound Name |
4-{(S)-3-[1-(3,4-Dimethoxy-benzenesulfonyl)-piperidin-4-ylamino]-2-hydroxy-propoxy}-1,3-dihydro-benzoimidazol-2-one
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| Structure |
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| Formula |
C23H30N4O7S
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| Molecular Weight |
506.581
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| Canonical SMILES |
COc1ccc(cc1OC)S(=O)(=O)N1CCC(CC1)NC[C@H](O)COc1cccc2[nH]c(=O)[nH]c12
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| InChI |
InChI=1S/C23H30N4O7S/c1-32-19-7-6-17(12-21(19)33-2)35(30,31)27-10-8-15(9-11-27)24-13-16(28)14-34-20-5-3-4-18-22(20)26-23(29)25-18/h3-7,12,15-16,24,28H,8-11,13-14H2,1-2H3,(H2,25,26,29)/t16-/m0/s1
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| InChIKey |
QLLHNAFICOTLDD-INIZCTEOSA-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