General Information of the Compound
| Compound ID |
CP0569813
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| Compound Name |
(benzylamino) 4-(5,6-dimethoxy-1-benzothiophen-2-yl)-4-oxobutanoate
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| Structure |
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| Formula |
C21H21NO5S
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| Molecular Weight |
399.468
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| Canonical SMILES |
COc1cc2cc(sc2cc1OC)C(=O)CCC(=O)ONCc1ccccc1
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| InChI |
InChI=1S/C21H21NO5S/c1-25-17-10-15-11-20(28-19(15)12-18(17)26-2)16(23)8-9-21(24)27-22-13-14-6-4-3-5-7-14/h3-7,10-12,22H,8-9,13H2,1-2H3
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| InChIKey |
DXVFESMCXICVBV-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