General Information of the Compound
| Compound ID |
CP0528611
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| Compound Name |
3-N,3-N,5-triethyl-2-N-(thiophene-2-)-4,5,6,7-tetrahydro-1-benzothiophene-2,3-diamido
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| Structure |
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| Formula |
C20H26N2O2S2
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| Molecular Weight |
390.574
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| Canonical SMILES |
CCC1CCc2sc(NC(=O)c3cccs3)c(C(=O)N(CC)CC)c2C1
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| InChI |
InChI=1S/C20H26N2O2S2/c1-4-13-9-10-15-14(12-13)17(20(24)22(5-2)6-3)19(26-15)21-18(23)16-8-7-11-25-16/h7-8,11,13H,4-6,9-10,12H2,1-3H3,(H,21,23)
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| InChIKey |
XBXVCMFJPOHYPU-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