General Information of the Compound
| Compound ID |
CP0875942
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| Compound Name |
N-(4-chloro-2-(2-(3-fluorobenzylidene)hydrazinecarbonyl)phenyl)-3-((2,3-dihydroxypropylthio)methyl)benzamide
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| Structure |
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| Formula |
C25H23ClFN3O4S
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| Molecular Weight |
515.994
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| Canonical SMILES |
O=C(Nc1ccc(Cl)cc1C(=O)N/N=C/c1cccc(F)c1)c1cccc(CSCC(O)CO)c1
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| InChI |
InChI=1S/C25H23ClFN3O4S/c26-19-7-8-23(22(11-19)25(34)30-28-12-16-3-2-6-20(27)10-16)29-24(33)18-5-1-4-17(9-18)14-35-15-21(32)13-31/h1-12,21,31-32H,13-15H2,(H,29,33)(H,30,34)/b28-12+
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| InChIKey |
ZCHMHZZYJDWHDR-KVSWJAHQSA-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: PT05802, Sodium-dependent phosphate transport protein 2A
Protein ID: PT06327, Sodium-dependent phosphate transport protein 2B
Protein ID: PT06563, Sodium-dependent phosphate transport protein 2C
Protein ID: PT06459, Sodium-dependent phosphate transporter 1
Protein ID: PT06507, Sodium-dependent phosphate transporter 2