General Information of the Compound
| Compound ID |
CP0566683
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| Compound Name |
5-[4-[1-[5-[1-(2-aminoethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine
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| Structure |
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| Formula |
C21H22N8O
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| Molecular Weight |
402.462
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| Canonical SMILES |
NCCn1cc(cn1)-c1nc(no1)C1(CCC1)c1ccc(cc1)-c1cnc(N)nc1
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| InChI |
InChI=1S/C21H22N8O/c22-8-9-29-13-16(12-26-29)18-27-19(28-30-18)21(6-1-7-21)17-4-2-14(3-5-17)15-10-24-20(23)25-11-15/h2-5,10-13H,1,6-9,22H2,(H2,23,24,25)
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| InChIKey |
CZVIDDLJRCWVHX-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