General Information of the Compound
| Compound ID |
CP0906407
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| Compound Name |
5-(4-{4-[(S)-2-Hydroxy-3-(4-hydroxy-phenoxy)-propylamino]-piperidin-1-yl}-benzyl)-thiazolidine-2,4-dione
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| Structure |
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| Formula |
C24H29N3O5S
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| Molecular Weight |
471.579
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| Canonical SMILES |
O=C1NC(=O)C(Cc2ccc(N3CCC(NC[C@H](O)COc4ccc(O)cc4)CC3)cc2)S1
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| InChI |
InChI=1S/C24H29N3O5S/c28-19-5-7-21(8-6-19)32-15-20(29)14-25-17-9-11-27(12-10-17)18-3-1-16(2-4-18)13-22-23(30)26-24(31)33-22/h1-8,17,20,22,25,28-29H,9-15H2,(H,26,30,31)/t20-,22?/m0/s1
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| InChIKey |
FTNVZLUVDQBQQM-AIBWNMTMSA-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: PT01493, Beta-3 adrenergic receptor