General Information of the Compound
| Compound ID |
CP0654400
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| Compound Name |
Pyrrolidine-1-carboxylic acid [3-(4-amino-benzo[4,5]thieno[3,2-d]pyrimidin-7-yl)-phenyl]-amid
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| Structure |
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| Formula |
C21H19N5OS
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| Molecular Weight |
389.484
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| Canonical SMILES |
Nc1ncnc2c1sc1cc(-c3cccc(NC(=O)N4CCCC4)c3)ccc12
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| InChI |
InChI=1S/C21H19N5OS/c22-20-19-18(23-12-24-20)16-7-6-14(11-17(16)28-19)13-4-3-5-15(10-13)25-21(27)26-8-1-2-9-26/h3-7,10-12H,1-2,8-9H2,(H,25,27)(H2,22,23,24)
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| InChIKey |
NXEVMWHFSSQBGY-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