General Information of the Compound
| Compound ID |
CP0177302
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| Compound Name |
5-[4-[2-methyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]propyl]phenyl]pyrimidin-2-amine
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| Structure |
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| Formula |
C20H21N7O
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| Molecular Weight |
375.436
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| Canonical SMILES |
CC(C)C(c1noc(n1)-c1cnn(C)c1)c1ccc(cc1)-c1cnc(N)nc1
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| InChI |
InChI=1S/C20H21N7O/c1-12(2)17(18-25-19(28-26-18)16-10-24-27(3)11-16)14-6-4-13(5-7-14)15-8-22-20(21)23-9-15/h4-12,17H,1-3H3,(H2,21,22,23)
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| InChIKey |
DESXNAWHZSSUQU-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