General Information of the Compound
| Compound ID |
CP0572211
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| Compound Name |
N-[(4-methylphenyl)methyl]-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]thieno[3,2-d]pyrimidin-4-amine
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| Formula |
C25H25N3O3S
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| Molecular Weight |
447.56
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| Canonical SMILES |
COc1cc(\C=C\c2nc(NCc3ccc(C)cc3)c3sccc3n2)cc(OC)c1OC
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| InChI |
InChI=1S/C25H25N3O3S/c1-16-5-7-17(8-6-16)15-26-25-24-19(11-12-32-24)27-22(28-25)10-9-18-13-20(29-2)23(31-4)21(14-18)30-3/h5-14H,15H2,1-4H3,(H,26,27,28)/b10-9+
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| InChIKey |
WAULYOROXYPURJ-MDZDMXLPSA-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