General Information of the Compound
| Compound ID |
CP0855866
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| Compound Name |
5-{4-[4-((R)-2-Hydroxy-2-pyridin-3-yl-ethylamino)-piperidin-1-yl]-benzyl}-thiazolidine-2,4-dione
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| Structure |
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| Formula |
C22H26N4O3S
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| Molecular Weight |
426.542
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| Canonical SMILES |
O=C1NC(=O)C(Cc2ccc(N3CCC(NC[C@H](O)c4cccnc4)CC3)cc2)S1
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| InChI |
InChI=1S/C22H26N4O3S/c27-19(16-2-1-9-23-13-16)14-24-17-7-10-26(11-8-17)18-5-3-15(4-6-18)12-20-21(28)25-22(29)30-20/h1-6,9,13,17,19-20,24,27H,7-8,10-12,14H2,(H,25,28,29)/t19-,20?/m0/s1
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| InChIKey |
AWMGTFQYJPFJJO-XJDOXCRVSA-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