General Information of the Compound
| Compound ID |
CP0411906
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| Compound Name |
1-(benzyl(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 |
C33H34N4O2S
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| Molecular Weight |
550.728
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| Canonical SMILES |
OC(COc1ccccc1)CN(Cc1ccccc1)C1CCN(CC1)c1ncnc2scc(-c3ccccc3)c12
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| InChI |
InChI=1S/C33H34N4O2S/c38-28(22-39-29-14-8-3-9-15-29)21-37(20-25-10-4-1-5-11-25)27-16-18-36(19-17-27)32-31-30(26-12-6-2-7-13-26)23-40-33(31)35-24-34-32/h1-15,23-24,27-28,38H,16-22H2
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| InChIKey |
WOARFNLDHSQISN-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