General Information of the Compound
| Compound ID |
CP0532967
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| Compound Name |
N-[5-[[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2,7-diazaspiro[3.4]octan-7-yl]methyl]-1,3-thiazol-2-yl]acetamide
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| Formula |
C18H22N8OS
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| Molecular Weight |
398.496
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| Canonical SMILES |
CC(=O)Nc1ncc(CN2CCC3(CN(C3)c3cc(C)nc4ncnn34)C2)s1
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| InChI |
InChI=1S/C18H22N8OS/c1-12-5-15(26-16(22-12)20-11-21-26)25-9-18(10-25)3-4-24(8-18)7-14-6-19-17(28-14)23-13(2)27/h5-6,11H,3-4,7-10H2,1-2H3,(H,19,23,27)
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| InChIKey |
IETFFDMVUYUGPT-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