General Information of the Compound
| Compound ID |
CP0370629
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| Compound Name |
N-[3-[2-[3-chloro-4-(3-morpholin-4-ylpropoxy)anilino]thieno[3,2-d]pyrimidin-4-yl]oxyphenyl]prop-2-enamide
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| Structure |
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| Formula |
C28H28ClN5O4S
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| Molecular Weight |
566.083
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| Canonical SMILES |
Clc1cc(Nc2nc(Oc3cccc(NC(=O)C=C)c3)c3sccc3n2)ccc1OCCCN1CCOCC1
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| InChI |
InChI=1S/C28H28ClN5O4S/c1-2-25(35)30-19-5-3-6-21(17-19)38-27-26-23(9-16-39-26)32-28(33-27)31-20-7-8-24(22(29)18-20)37-13-4-10-34-11-14-36-15-12-34/h2-3,5-9,16-18H,1,4,10-15H2,(H,30,35)(H,31,32,33)
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| InChIKey |
BZFLKUGURVDIAB-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