General Information of the Compound
| Compound ID |
CP0356054
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| Compound Name |
N-[3-[2-[4-(3-morpholin-4-ylpropylsulfanyl)anilino]thieno[3,2-d]pyrimidin-4-yl]oxyphenyl]prop-2-enamide
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| Structure |
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| Formula |
C28H29N5O3S2
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| Molecular Weight |
547.706
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| Canonical SMILES |
C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(SCCCN4CCOCC4)cc3)nc3ccsc23)c1
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| InChI |
InChI=1S/C28H29N5O3S2/c1-2-25(34)29-21-5-3-6-22(19-21)36-27-26-24(11-18-38-26)31-28(32-27)30-20-7-9-23(10-8-20)37-17-4-12-33-13-15-35-16-14-33/h2-3,5-11,18-19H,1,4,12-17H2,(H,29,34)(H,30,31,32)
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| InChIKey |
RVRZWPSRZFJAPX-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