General Information of the Compound
| Compound ID |
CP0514607
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| Compound Name |
N-cyclopropyl-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]thieno[3,2-d]pyrimidin-4-amine
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| Formula |
C20H21N3O3S
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| Molecular Weight |
383.473
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| Canonical SMILES |
COc1cc(\C=C\c2nc(NC3CC3)c3sccc3n2)cc(OC)c1OC
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| InChI |
InChI=1S/C20H21N3O3S/c1-24-15-10-12(11-16(25-2)18(15)26-3)4-7-17-22-14-8-9-27-19(14)20(23-17)21-13-5-6-13/h4,7-11,13H,5-6H2,1-3H3,(H,21,22,23)/b7-4+
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| InChIKey |
XESNEOBORQMRNB-QPJJXVBHSA-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