General Information of the Compound
| Compound ID |
CP0852654
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| Compound Name |
5-(4-Bromo-phenyl)-4-[1,4]diazepan-1-yl-2-pyridin-4-yl-thieno[2,3-d]pyrimidine
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| Structure |
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| Formula |
C22H20BrN5S
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| Molecular Weight |
466.408
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| Canonical SMILES |
Brc1ccc(-c2csc3nc(-c4ccncc4)nc(N4CCCNCC4)c23)cc1
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| InChI |
InChI=1S/C22H20BrN5S/c23-17-4-2-15(3-5-17)18-14-29-22-19(18)21(28-12-1-8-24-11-13-28)26-20(27-22)16-6-9-25-10-7-16/h2-7,9-10,14,24H,1,8,11-13H2
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| InChIKey |
DMOOQNBFDZCWOC-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