General Information of the Compound
| Compound ID |
CP0500002
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| Compound Name |
1-((2-hydroxyethyl)(1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl)amino)-3-phenoxypropan-2-ol
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| Structure |
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| Formula |
C28H32N4O3S
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| Molecular Weight |
504.656
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| Canonical SMILES |
OCCN(CC(O)COc1ccccc1)C1CCN(CC1)c1ncnc2scc(-c3ccccc3)c12
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| InChI |
InChI=1S/C28H32N4O3S/c33-16-15-32(17-23(34)18-35-24-9-5-2-6-10-24)22-11-13-31(14-12-22)27-26-25(21-7-3-1-4-8-21)19-36-28(26)30-20-29-27/h1-10,19-20,22-23,33-34H,11-18H2
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| InChIKey |
UWJOHHZPBVBGHG-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