General Information of the Compound
| Compound ID |
CP0097140
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| Compound Name |
4-{(S)-2-Hydroxy-3-[1-(4-methoxy-benzenesulfonyl)-piperidin-4-ylamino]-propoxy}-1,3-dihydro-benzoimidazol-2-one
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| Structure |
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| Formula |
C22H28N4O6S
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| Molecular Weight |
476.555
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| Canonical SMILES |
COc1ccc(cc1)S(=O)(=O)N1CCC(CC1)NC[C@H](O)COc1cccc2[nH]c(=O)[nH]c12
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| InChI |
InChI=1S/C22H28N4O6S/c1-31-17-5-7-18(8-6-17)33(29,30)26-11-9-15(10-12-26)23-13-16(27)14-32-20-4-2-3-19-21(20)25-22(28)24-19/h2-8,15-16,23,27H,9-14H2,1H3,(H2,24,25,28)/t16-/m0/s1
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| InChIKey |
SCWJRUNVWHPJGD-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