General Information of the Compound
| Compound ID |
CP0533781
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| Compound Name |
N-[4-(trifluoromethyl)phenyl]-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]thieno[3,2-d]pyrimidin-4-amine
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| Formula |
C24H20F3N3O3S
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| Molecular Weight |
487.503
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| Canonical SMILES |
COc1cc(\C=C\c2nc(Nc3ccc(cc3)C(F)(F)F)c3sccc3n2)cc(OC)c1OC
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| InChI |
InChI=1S/C24H20F3N3O3S/c1-31-18-12-14(13-19(32-2)21(18)33-3)4-9-20-29-17-10-11-34-22(17)23(30-20)28-16-7-5-15(6-8-16)24(25,26)27/h4-13H,1-3H3,(H,28,29,30)/b9-4+
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| InChIKey |
OFBQZJRZRYFCLG-RUDMXATFSA-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