General Information of the Compound
| Compound ID |
CP0470422
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| Compound Name |
2-(phenoxymethyl)-4-(1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl)morpholine
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| Structure |
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| Formula |
C28H30N4O2S
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| Molecular Weight |
486.641
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| Canonical SMILES |
C(Oc1ccccc1)C1CN(CCO1)C1CCN(CC1)c1ncnc2scc(-c3ccccc3)c12
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| InChI |
InChI=1S/C28H30N4O2S/c1-3-7-21(8-4-1)25-19-35-28-26(25)27(29-20-30-28)31-13-11-22(12-14-31)32-15-16-33-24(17-32)18-34-23-9-5-2-6-10-23/h1-10,19-20,22,24H,11-18H2
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| InChIKey |
XJTOBADWRJTNBB-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