General Information of the Compound
| Compound ID |
CP0903286
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| Compound Name |
N'1-[6-(4-tert-Butyl-phenyl)-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 |
C23H25N5S
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| Molecular Weight |
403.555
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| Canonical SMILES |
CC(C)(C)c1ccc(-c2cc3nc(-c4ccncc4)nc(NCCN)c3s2)cc1
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| InChI |
InChI=1S/C23H25N5S/c1-23(2,3)17-6-4-15(5-7-17)19-14-18-20(29-19)22(26-13-10-24)28-21(27-18)16-8-11-25-12-9-16/h4-9,11-12,14H,10,13,24H2,1-3H3,(H,26,27,28)
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| InChIKey |
HGLSWBQVUOUJCM-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