General Information of the Compound
| Compound ID |
CP0064145
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| Compound Name |
6-((1,3-dioxo-2,8-diazaspiro[4.5]decan-2-yl)methyl)-7-neopentyl-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile
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| Structure |
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| Formula |
C21H26N6O2
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| Molecular Weight |
394.479
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| Canonical SMILES |
CC(C)(C)Cn1c(CN2C(=O)CC3(CCNCC3)C2=O)cc2cnc(nc12)C#N
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| InChI |
InChI=1S/C21H26N6O2/c1-20(2,3)13-27-15(8-14-11-24-16(10-22)25-18(14)27)12-26-17(28)9-21(19(26)29)4-6-23-7-5-21/h8,11,23H,4-7,9,12-13H2,1-3H3
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| InChIKey |
GXGLUMCONRSMLM-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