General Information of the Compound
| Compound ID |
CP0015264
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| Compound Name |
1-[(3S)-3-[[9-methyl-8-(2-methylpyrimidin-5-yl)purin-6-yl]amino]pyrrolidin-1-yl]propan-1-one
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| Structure |
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| Formula |
C18H22N8O
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| Molecular Weight |
366.429
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| Canonical SMILES |
CCC(=O)N1CC[C@@H](C1)Nc1ncnc2n(C)c(nc12)-c1cnc(C)nc1
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| InChI |
InChI=1S/C18H22N8O/c1-4-14(27)26-6-5-13(9-26)23-16-15-18(22-10-21-16)25(3)17(24-15)12-7-19-11(2)20-8-12/h7-8,10,13H,4-6,9H2,1-3H3,(H,21,22,23)/t13-/m0/s1
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| InChIKey |
PFVNWFNFIMJELY-ZDUSSCGKSA-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