General Information of the Compound
| Compound ID |
CP0470421
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| Compound Name |
N-(2-hydroxy-3-phenoxypropyl)-N-[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]acetamide
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| Structure |
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| Formula |
C28H30N4O3S
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| Molecular Weight |
502.64
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| Canonical SMILES |
CC(=O)N(CC(O)COc1ccccc1)C1CCN(CC1)c1ncnc2scc(-c3ccccc3)c12
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| InChI |
InChI=1S/C28H30N4O3S/c1-20(33)32(16-23(34)17-35-24-10-6-3-7-11-24)22-12-14-31(15-13-22)27-26-25(21-8-4-2-5-9-21)18-36-28(26)30-19-29-27/h2-11,18-19,22-23,34H,12-17H2,1H3
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| InChIKey |
VWWSCDYAHVIPDJ-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