General Information of the Compound
| Compound ID |
CP0967250
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| Compound Name |
N'1-(7-Bromo-6-tert-butyl-2-pyridin-4-yl-thieno[3,2-d]pyrimidin-4-yl)-ethane-1,2-diamine
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| Structure |
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| Formula |
C17H20BrN5S
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| Molecular Weight |
406.353
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| Canonical SMILES |
CC(C)(C)c1sc2c(NCCN)nc(-c3ccncc3)nc2c1Br
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| InChI |
InChI=1S/C17H20BrN5S/c1-17(2,3)14-11(18)12-13(24-14)16(21-9-6-19)23-15(22-12)10-4-7-20-8-5-10/h4-5,7-8H,6,9,19H2,1-3H3,(H,21,22,23)
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| InChIKey |
GKHAJLLZSIGZLE-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