General Information of the Compound
| Compound ID |
CP0495183
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| Compound Name |
1-[4-[2-[4-(4-methylpiperazin-1-yl)anilino]thieno[3,2-d]pyrimidin-4-yl]oxypiperidin-1-yl]prop-2-en-1-one
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| Structure |
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| Formula |
C25H30N6O2S
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| Molecular Weight |
478.622
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| Canonical SMILES |
CN1CCN(CC1)c1ccc(Nc2nc(OC3CCN(CC3)C(=O)C=C)c3sccc3n2)cc1
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| InChI |
InChI=1S/C25H30N6O2S/c1-3-22(32)31-11-8-20(9-12-31)33-24-23-21(10-17-34-23)27-25(28-24)26-18-4-6-19(7-5-18)30-15-13-29(2)14-16-30/h3-7,10,17,20H,1,8-9,11-16H2,2H3,(H,26,27,28)
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| InChIKey |
VPENZQXYETWNTQ-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