General Information of the Compound
| Compound ID |
CP0013693
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| Compound Name |
1-[(3S)-3-[[9-methyl-8-[6-(trifluoromethyl)pyridin-3-yl]purin-6-yl]amino]pyrrolidin-1-yl]propan-1-one
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| Structure |
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| Formula |
C19H20F3N7O
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| Molecular Weight |
419.411
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| Canonical SMILES |
CCC(=O)N1CC[C@@H](C1)Nc1ncnc2n(C)c(nc12)-c1ccc(nc1)C(F)(F)F
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| InChI |
InChI=1S/C19H20F3N7O/c1-3-14(30)29-7-6-12(9-29)26-16-15-18(25-10-24-16)28(2)17(27-15)11-4-5-13(23-8-11)19(20,21)22/h4-5,8,10,12H,3,6-7,9H2,1-2H3,(H,24,25,26)/t12-/m0/s1
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| InChIKey |
LCAMWSYZLZOTEU-LBPRGKRZSA-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