General Information of the Compound
| Compound ID |
CP0336743
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| Compound Name |
7-(2,2-Dimethyl-propyl)-6-(2,4-dioxo-8-propyl-1,3,8-triaza-spiro[4.5]dec-3-ylmethyl)-7Hpyrrolo[2,3-d]pyrimidine-2-carbonitrile
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| Structure |
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| Formula |
C23H31N7O2
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| Molecular Weight |
437.548
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| Canonical SMILES |
CCCN1CCC2(CC1)NC(=O)N(Cc1cc3cnc(nc3n1CC(C)(C)C)C#N)C2=O
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| InChI |
InChI=1S/C23H31N7O2/c1-5-8-28-9-6-23(7-10-28)20(31)29(21(32)27-23)14-17-11-16-13-25-18(12-24)26-19(16)30(17)15-22(2,3)4/h11,13H,5-10,14-15H2,1-4H3,(H,27,32)
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| InChIKey |
DRKAFUGFRPVJKV-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