General Information of the Compound
| Compound ID |
CP0245532
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| Compound Name |
2-[4-[3-[1-cyclopropyl-1-[4-[2-(ethylamino)pyrimidin-5-yl]phenyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide
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| Structure |
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| Formula |
C26H30N8O2
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| Molecular Weight |
486.58
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| Canonical SMILES |
CCNc1ncc(cn1)-c1ccc(cc1)C(C)(C1CC1)c1noc(n1)-c1cnn(CC(=O)N(C)C)c1
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| InChI |
InChI=1S/C26H30N8O2/c1-5-27-25-28-12-18(13-29-25)17-6-8-20(9-7-17)26(2,21-10-11-21)24-31-23(36-32-24)19-14-30-34(15-19)16-22(35)33(3)4/h6-9,12-15,21H,5,10-11,16H2,1-4H3,(H,27,28,29)
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| InChIKey |
SRXUXZDZJCWVJC-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