General Information of the Compound
| Compound ID |
CP0881251
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| Compound Name |
N-(1-(4-(3-(2,4-dioxothiazolidin-3-yl)propoxy)-3-fluorobenzyl)piperidin-4-yl)-7-fluoro-4-oxo-4H-chromene-2-carboxamide
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| Structure |
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| Formula |
C28H27F2N3O6S
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| Molecular Weight |
571.602
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| Canonical SMILES |
O=C(NC1CCN(Cc2ccc(OCCCN3C(=O)CSC3=O)c(F)c2)CC1)c1cc(=O)c2ccc(F)cc2o1
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| InChI |
InChI=1S/C28H27F2N3O6S/c29-18-3-4-20-22(34)14-25(39-24(20)13-18)27(36)31-19-6-9-32(10-7-19)15-17-2-5-23(21(30)12-17)38-11-1-8-33-26(35)16-40-28(33)37/h2-5,12-14,19H,1,6-11,15-16H2,(H,31,36)
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| InChIKey |
PXPSNIUEMVGLPF-UHFFFAOYSA-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: PT01027, Melanin-concentrating hormone receptor 1
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2