General Information of the Compound
| Compound ID |
CP0654395
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| Compound Name |
3-(4-Amino-benzo[4,5]thieno[3,2-d]pyrimidin-7-yl)-N-(2-pyridin-3-yl-ethyl)-benzamide
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| Structure |
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| Formula |
C24H19N5OS
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| Molecular Weight |
425.517
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| Canonical SMILES |
Nc1ncnc2c1sc1cc(-c3cccc(C(=O)NCCc4cccnc4)c3)ccc12
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| InChI |
InChI=1S/C24H19N5OS/c25-23-22-21(28-14-29-23)19-7-6-17(12-20(19)31-22)16-4-1-5-18(11-16)24(30)27-10-8-15-3-2-9-26-13-15/h1-7,9,11-14H,8,10H2,(H,27,30)(H2,25,28,29)
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| InChIKey |
CWTWMAPTTBKMQQ-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