General Information of the Compound
| Compound ID |
CP0014139
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| Compound Name |
[(3S)-3-[[9-ethyl-8-(2-methylpyrimidin-5-yl)purin-6-yl]amino]pyrrolidin-1-yl]-(1,3-oxazol-4-yl)methanone
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| Structure |
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| Formula |
C20H21N9O2
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| Molecular Weight |
419.449
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| Canonical SMILES |
CCn1c(nc2c(N[C@H]3CCN(C3)C(=O)c3cocn3)ncnc12)-c1cnc(C)nc1
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| InChI |
InChI=1S/C20H21N9O2/c1-3-29-18(13-6-21-12(2)22-7-13)27-16-17(23-10-24-19(16)29)26-14-4-5-28(8-14)20(30)15-9-31-11-25-15/h6-7,9-11,14H,3-5,8H2,1-2H3,(H,23,24,26)/t14-/m0/s1
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| InChIKey |
PIGUHLRPVFFTQD-AWEZNQCLSA-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