General Information of the Compound
| Compound ID |
CP0460493
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| Compound Name |
[3-[7-(3,4-dimethoxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]phenyl]methanol
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| Structure |
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| Formula |
C20H18N4O3S
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| Molecular Weight |
394.456
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| Canonical SMILES |
COc1ccc(Nc2nc(nc3scnc23)-c2cccc(CO)c2)cc1OC
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| InChI |
InChI=1S/C20H18N4O3S/c1-26-15-7-6-14(9-16(15)27-2)22-19-17-20(28-11-21-17)24-18(23-19)13-5-3-4-12(8-13)10-25/h3-9,11,25H,10H2,1-2H3,(H,22,23,24)
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| InChIKey |
LCCJDQFHDRNMOQ-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