General Information of the Compound
| Compound ID |
CP0545479
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| Compound Name |
1-[4-[2-[(1-methylpyrazol-4-yl)amino]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 |
C18H20N6O2S
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| Molecular Weight |
384.465
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| Canonical SMILES |
Cn1cc(Nc2nc(OC3CCN(CC3)C(=O)C=C)c3sccc3n2)cn1
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| InChI |
InChI=1S/C18H20N6O2S/c1-3-15(25)24-7-4-13(5-8-24)26-17-16-14(6-9-27-16)21-18(22-17)20-12-10-19-23(2)11-12/h3,6,9-11,13H,1,4-5,7-8H2,2H3,(H,20,21,22)
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| InChIKey |
XSBUIPXEPFHKDP-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