General Information of the Compound
| Compound ID |
CP0460891
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| Compound Name |
(2-Chloro-pyridine-4-carbonyl)-(4-ethoxy-phenyl)-thiocarbamic acid O-[2-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-ethyl] ester
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| Structure |
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| Formula |
C25H20ClN3O5S
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| Molecular Weight |
509.971
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| Canonical SMILES |
CCOc1ccc(cc1)N(C(=S)OCCN1C(=O)c2ccccc2C1=O)C(=O)c1ccnc(Cl)c1
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| InChI |
InChI=1S/C25H20ClN3O5S/c1-2-33-18-9-7-17(8-10-18)29(22(30)16-11-12-27-21(26)15-16)25(35)34-14-13-28-23(31)19-5-3-4-6-20(19)24(28)32/h3-12,15H,2,13-14H2,1H3
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| InChIKey |
BSQSLGNFJPWSCX-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