General Information of the Compound
| Compound ID |
CP0271149
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| Compound Name |
5-[4-[1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine
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| Structure |
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| Formula |
C22H21N7O2
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| Molecular Weight |
415.457
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| Canonical SMILES |
Nc1ncc(cn1)-c1ccc(cc1)C1(CCC1)c1noc(n1)-c1cnn(c1)C1COC1
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| InChI |
InChI=1S/C22H21N7O2/c23-21-24-8-15(9-25-21)14-2-4-17(5-3-14)22(6-1-7-22)20-27-19(31-28-20)16-10-26-29(11-16)18-12-30-13-18/h2-5,8-11,18H,1,6-7,12-13H2,(H2,23,24,25)
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| InChIKey |
NYVSJJYPPQSTBA-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