General Information of the Compound
| Compound ID |
CP0444405
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| Compound Name |
3-N-[2-(dimethylamino)ethyl]-3-N-methyl-2-N-(thiophene-2-)-4,5,6,7-tetrahydro-1-benzothiophene-2,3-diamido
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| Structure |
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| Formula |
C19H25N3O2S2
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| Molecular Weight |
391.562
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| Canonical SMILES |
CN(C)CCN(C)C(=O)c1c(NC(=O)c2cccs2)sc2CCCCc12
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| InChI |
InChI=1S/C19H25N3O2S2/c1-21(2)10-11-22(3)19(24)16-13-7-4-5-8-14(13)26-18(16)20-17(23)15-9-6-12-25-15/h6,9,12H,4-5,7-8,10-11H2,1-3H3,(H,20,23)
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| InChIKey |
WRBJXASDMMUZIF-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