General Information of the Compound
| Compound ID |
CP0212029
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| Compound Name |
8-[(3-methylpyridin-2-yl)methyl]-1-(6-oxo-1H-pyrimidin-4-yl)-3-(4-pyrimidin-5-ylphenyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
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| Structure |
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| Formula |
C28H26N8O3
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| Molecular Weight |
522.569
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| Canonical SMILES |
Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-c1cncnc1)c1cc(=O)[nH]cn1
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| InChI |
InChI=1S/C28H26N8O3/c1-19-3-2-10-31-23(19)16-34-11-8-28(9-12-34)26(38)35(27(39)36(28)24-13-25(37)33-18-32-24)22-6-4-20(5-7-22)21-14-29-17-30-15-21/h2-7,10,13-15,17-18H,8-9,11-12,16H2,1H3,(H,32,33,37)
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| InChIKey |
CUTBTCSJXYVNJF-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