General Information of the Compound
| Compound ID |
CP0405348
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| Compound Name |
(Thiophene-2-carbonyl)-m-tolyl-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 |
C23H18N2O4S2
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| Molecular Weight |
450.541
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| Canonical SMILES |
Cc1cccc(c1)N(C(=S)OCCN1C(=O)c2ccccc2C1=O)C(=O)c1cccs1
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| InChI |
InChI=1S/C23H18N2O4S2/c1-15-6-4-7-16(14-15)25(22(28)19-10-5-13-31-19)23(30)29-12-11-24-20(26)17-8-2-3-9-18(17)21(24)27/h2-10,13-14H,11-12H2,1H3
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| InChIKey |
NVYHWLBQRJOGQW-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