General Information of the Compound
| Compound ID |
CP0151193
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| Compound Name |
7-(2,2-dimethylpropyl)-6-[(2,4-dioxo-1,3,8-triazaspiro[4.5]dec-3-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile
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| Structure |
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| Formula |
C20H25N7O2
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| Molecular Weight |
395.467
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| Canonical SMILES |
CC(C)(C)Cn1c(CN2C(=O)NC3(CCNCC3)C2=O)cc2cnc(nc12)C#N
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| InChI |
InChI=1S/C20H25N7O2/c1-19(2,3)12-27-14(8-13-10-23-15(9-21)24-16(13)27)11-26-17(28)20(25-18(26)29)4-6-22-7-5-20/h8,10,22H,4-7,11-12H2,1-3H3,(H,25,29)
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| InChIKey |
UKJMYPORNSQINW-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