General Information of the Compound
| Compound ID |
CP0654396
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| Compound Name |
3-(4-Amino-benzo[4,5]thieno[3,2-d]pyrimidin-7-yl)-N-(2-morpholin-4-yl-2-oxo-ethyl)-benzamide
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| Structure |
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| Formula |
C23H21N5O3S
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| Molecular Weight |
447.52
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| Canonical SMILES |
Nc1ncnc2c1sc1cc(-c3cccc(C(=O)NCC(=O)N4CCOCC4)c3)ccc12
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| InChI |
InChI=1S/C23H21N5O3S/c24-22-21-20(26-13-27-22)17-5-4-15(11-18(17)32-21)14-2-1-3-16(10-14)23(30)25-12-19(29)28-6-8-31-9-7-28/h1-5,10-11,13H,6-9,12H2,(H,25,30)(H2,24,26,27)
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| InChIKey |
WHUBHFOPVAPFDR-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