General Information of the Compound
| Compound ID |
CP0954135
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| Compound Name |
N'1-[7-(4-Bromo-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 |
C19H16BrN5S
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| Molecular Weight |
426.343
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| Canonical SMILES |
NCCNc1nc(-c2ccncc2)nc2c(-c3ccc(Br)cc3)csc12
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| InChI |
InChI=1S/C19H16BrN5S/c20-14-3-1-12(2-4-14)15-11-26-17-16(15)24-18(13-5-8-22-9-6-13)25-19(17)23-10-7-21/h1-6,8-9,11H,7,10,21H2,(H,23,24,25)
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| InChIKey |
RPXUYYFTUPZIKW-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