General Information of the Compound
| Compound ID |
CP0405684
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| Compound Name |
4-[2-[[1-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]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 |
C25H25N7O3S
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| Molecular Weight |
503.588
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| Canonical SMILES |
Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3cc(=O)[nH]c(=O)[nH]3)CC2)nc2ccsc12)C#N
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| InChI |
InChI=1S/C25H25N7O3S/c1-14-9-16(12-26)10-15(2)21(14)35-23-22-19(5-8-36-22)29-24(31-23)27-17-3-6-32(7-4-17)13-18-11-20(33)30-25(34)28-18/h5,8-11,17H,3-4,6-7,13H2,1-2H3,(H,27,29,31)(H2,28,30,33,34)
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| InChIKey |
UNPFEEFPHCXQCF-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