General Information of the Compound
| Compound ID |
CP0509910
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| Compound Name |
(3-Acetyl-phenyl)-(thiophene-2-carbonyl)-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 |
C24H18N2O5S2
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| Molecular Weight |
478.551
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| Canonical SMILES |
CC(=O)c1cccc(c1)N(C(=S)OCCN1C(=O)c2ccccc2C1=O)C(=O)c1cccs1
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| InChI |
InChI=1S/C24H18N2O5S2/c1-15(27)16-6-4-7-17(14-16)26(23(30)20-10-5-13-33-20)24(32)31-12-11-25-21(28)18-8-2-3-9-19(18)22(25)29/h2-10,13-14H,11-12H2,1H3
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| InChIKey |
VNJHGRJSDJIQPJ-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