General Information of the Compound
| Compound ID |
CP0951912
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| Compound Name |
6-(4-tert-Butyl-phenyl)-4-piperazin-1-yl-2-pyridin-4-yl-thieno[3,2-d]pyrimidine
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| Structure |
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| Formula |
C25H27N5S
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| Molecular Weight |
429.593
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| Canonical SMILES |
CC(C)(C)c1ccc(-c2cc3nc(-c4ccncc4)nc(N4CCNCC4)c3s2)cc1
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| InChI |
InChI=1S/C25H27N5S/c1-25(2,3)19-6-4-17(5-7-19)21-16-20-22(31-21)24(30-14-12-27-13-15-30)29-23(28-20)18-8-10-26-11-9-18/h4-11,16,27H,12-15H2,1-3H3
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| InChIKey |
NPJBXDMAACTWIS-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