General Information of the Compound
| Compound ID |
CP0494171
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| Compound Name |
(4-Chloro-benzoyl)-(4-chloro-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 |
C24H16Cl2N2O4S
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| Molecular Weight |
499.375
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| Canonical SMILES |
Clc1ccc(cc1)N(C(=S)OCCN1C(=O)c2ccccc2C1=O)C(=O)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C24H16Cl2N2O4S/c25-16-7-5-15(6-8-16)21(29)28(18-11-9-17(26)10-12-18)24(33)32-14-13-27-22(30)19-3-1-2-4-20(19)23(27)31/h1-12H,13-14H2
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| InChIKey |
SMAKCUTWFCKLNL-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