General Information of the Compound
| Compound ID |
CP0502253
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| Compound Name |
(4-Diethylamino-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 |
C26H25N3O4S2
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| Molecular Weight |
507.637
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| Canonical SMILES |
CCN(CC)c1ccc(cc1)N(C(=S)OCCN1C(=O)c2ccccc2C1=O)C(=O)c1cccs1
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| InChI |
InChI=1S/C26H25N3O4S2/c1-3-27(4-2)18-11-13-19(14-12-18)29(25(32)22-10-7-17-35-22)26(34)33-16-15-28-23(30)20-8-5-6-9-21(20)24(28)31/h5-14,17H,3-4,15-16H2,1-2H3
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| InChIKey |
SKVXWRLCGMNGOP-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