General Information of the Compound
| Compound ID |
CP0350008
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| Compound Name |
N-[3-[2-[4-(morpholin-4-ylmethyl)anilino]thieno[3,2-d]pyrimidin-4-yl]oxyphenyl]prop-2-enamide
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| Structure |
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| Formula |
C26H25N5O3S
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| Molecular Weight |
487.585
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| Canonical SMILES |
C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(CN4CCOCC4)cc3)nc3ccsc23)c1
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| InChI |
InChI=1S/C26H25N5O3S/c1-2-23(32)27-20-4-3-5-21(16-20)34-25-24-22(10-15-35-24)29-26(30-25)28-19-8-6-18(7-9-19)17-31-11-13-33-14-12-31/h2-10,15-16H,1,11-14,17H2,(H,27,32)(H,28,29,30)
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| InChIKey |
TUBJUJIZDHZLMR-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