General Information of the Compound
| Compound ID |
CP0539332
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| Compound Name |
4-[3-(ethylamino)azetidin-1-yl]-6-propan-2-ylpyrimidin-2-amine
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| Structure |
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| Formula |
C12H21N5
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| Molecular Weight |
235.335
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| Canonical SMILES |
CCNC1CN(C1)c1cc(nc(N)n1)C(C)C
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| InChI |
InChI=1S/C12H21N5/c1-4-14-9-6-17(7-9)11-5-10(8(2)3)15-12(13)16-11/h5,8-9,14H,4,6-7H2,1-3H3,(H2,13,15,16)
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| InChIKey |
SUHLEUOFCFIBIR-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