General Information of the Compound
| Compound ID |
CP0541766
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| Compound Name |
2-N-benzene-3-N,3-N-diethyl-4,5,6,7-tetrahydro-1-benzothiophene-2,3-diamido
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| Structure |
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| Formula |
C20H24N2O2S
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| Molecular Weight |
356.491
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| Canonical SMILES |
CCN(CC)C(=O)c1c(NC(=O)c2ccccc2)sc2CCCCc12
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| InChI |
InChI=1S/C20H24N2O2S/c1-3-22(4-2)20(24)17-15-12-8-9-13-16(15)25-19(17)21-18(23)14-10-6-5-7-11-14/h5-7,10-11H,3-4,8-9,12-13H2,1-2H3,(H,21,23)
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| InChIKey |
HCZWWYHZJXWIEK-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