General Information of the Compound
| Compound ID |
CP0064146
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| Compound Name |
7-(2,2-Dimethyl-propyl)-6-(3-methyl-2,4-dioxo-1,3,8-triaza-spiro[4.5]dec-8-ylmethyl)-7Hpyrrolo[2,3-d]pyrimidine-2-carbonitrile
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| Structure |
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| Formula |
C21H27N7O2
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| Molecular Weight |
409.494
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| Canonical SMILES |
CN1C(=O)NC2(CCN(Cc3cc4cnc(nc4n3CC(C)(C)C)C#N)CC2)C1=O
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| InChI |
InChI=1S/C21H27N7O2/c1-20(2,3)13-28-15(9-14-11-23-16(10-22)24-17(14)28)12-27-7-5-21(6-8-27)18(29)26(4)19(30)25-21/h9,11H,5-8,12-13H2,1-4H3,(H,25,30)
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| InChIKey |
USHMVOYUHZUPCH-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