General Information of the Compound
| Compound ID |
CP0271151
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| Compound Name |
3-[(1R)-1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-N-methyl-N-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-amine
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| Structure |
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| Formula |
C22H24N8O
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| Molecular Weight |
416.489
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| Canonical SMILES |
CN(c1cnn(C)c1)c1nc(no1)[C@](C)(C1CC1)c1ccc(cc1)-c1cnc(N)nc1
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| InChI |
InChI=1S/C22H24N8O/c1-22(17-8-9-17,16-6-4-14(5-7-16)15-10-24-20(23)25-11-15)19-27-21(31-28-19)30(3)18-12-26-29(2)13-18/h4-7,10-13,17H,8-9H2,1-3H3,(H2,23,24,25)/t22-/m0/s1
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| InChIKey |
BZRIHEFHKJEVDF-QFIPXVFZSA-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