General Information of the Compound
| Compound ID |
CP0405683
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| Compound Name |
4-[2-[[1-(furan-2-ylmethyl)piperidin-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]oxy-3,5-dimethylbenzonitrile
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| Structure |
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| Formula |
C25H25N5O2S
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| Molecular Weight |
459.575
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| Canonical SMILES |
Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3ccco3)CC2)nc2ccsc12)C#N
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| InChI |
InChI=1S/C25H25N5O2S/c1-16-12-18(14-26)13-17(2)22(16)32-24-23-21(7-11-33-23)28-25(29-24)27-19-5-8-30(9-6-19)15-20-4-3-10-31-20/h3-4,7,10-13,19H,5-6,8-9,15H2,1-2H3,(H,27,28,29)
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| InChIKey |
WMIDHLARPIYJLA-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