General Information of the Compound
| Compound ID |
CP0350129
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| Compound Name |
2-[4-[3-[(1R)-1-cyclopropyl-1-[4-[2-(propan-2-ylamino)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 |
C27H32N8O2
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| Molecular Weight |
500.607
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| Canonical SMILES |
CC(C)Nc1ncc(cn1)-c1ccc(cc1)[C@@](C)(C1CC1)c1noc(n1)-c1cnn(CC(=O)N(C)C)c1
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| InChI |
InChI=1S/C27H32N8O2/c1-17(2)31-26-28-12-19(13-29-26)18-6-8-21(9-7-18)27(3,22-10-11-22)25-32-24(37-33-25)20-14-30-35(15-20)16-23(36)34(4)5/h6-9,12-15,17,22H,10-11,16H2,1-5H3,(H,28,29,31)/t27-/m0/s1
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| InChIKey |
KXQKCPIYJPBSDQ-MHZLTWQESA-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