General Information of the Compound
| Compound ID |
CP0127411
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| Compound Name |
2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-tert-butylacetamide
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| Structure |
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| Formula |
C25H28N8O2
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| Molecular Weight |
472.553
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| Canonical SMILES |
CC(C)(C)NC(=O)Cn1cc(cn1)-c1nc(no1)C1(CCC1)c1ccc(cc1)-c1cnc(N)nc1
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| InChI |
InChI=1S/C25H28N8O2/c1-24(2,3)31-20(34)15-33-14-18(13-29-33)21-30-22(32-35-21)25(9-4-10-25)19-7-5-16(6-8-19)17-11-27-23(26)28-12-17/h5-8,11-14H,4,9-10,15H2,1-3H3,(H,31,34)(H2,26,27,28)
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| InChIKey |
SATBSZJRSPTMOX-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