General Information of the Compound
| Compound ID |
CP0258570
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| Compound Name |
N-[3-[2-[4-(2-morpholin-4-ylethoxy)anilino]thieno[3,2-d]pyrimidin-4-yl]oxyphenyl]prop-2-enamide
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| Structure |
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| Formula |
C27H27N5O4S
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| Molecular Weight |
517.611
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| Canonical SMILES |
C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(OCCN4CCOCC4)cc3)nc3ccsc23)c1
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| InChI |
InChI=1S/C27H27N5O4S/c1-2-24(33)28-20-4-3-5-22(18-20)36-26-25-23(10-17-37-25)30-27(31-26)29-19-6-8-21(9-7-19)35-16-13-32-11-14-34-15-12-32/h2-10,17-18H,1,11-16H2,(H,28,33)(H,29,30,31)
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| InChIKey |
LFDFWUWZMDGLIF-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