General Information of the Compound
| Compound ID |
CP0050026
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| Compound Name |
8-[(3-methylpyridin-2-yl)methyl]-3-[4-(2-oxoazetidin-1-yl)phenyl]-1-(6-oxo-1H-pyrimidin-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
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| Structure |
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| Formula |
C27H27N7O4
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| Molecular Weight |
513.558
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| Canonical SMILES |
Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)N1CCC1=O)c1cc(=O)[nH]cn1
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| InChI |
InChI=1S/C27H27N7O4/c1-18-3-2-11-28-21(18)16-31-13-9-27(10-14-31)25(37)33(26(38)34(27)22-15-23(35)30-17-29-22)20-6-4-19(5-7-20)32-12-8-24(32)36/h2-7,11,15,17H,8-10,12-14,16H2,1H3,(H,29,30,35)
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| InChIKey |
OQZGBAAWFMGASB-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