General Information of the Compound
| Compound ID |
CP0005368
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| Compound Name |
1-[(3S)-3-[[8-(5-fluoro-6-methoxypyridin-3-yl)-9-methylpurin-6-yl]amino]pyrrolidin-1-yl]propan-1-one
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| Formula |
C19H22FN7O2
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| Molecular Weight |
399.43
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| Canonical SMILES |
CCC(=O)N1CC[C@@H](C1)Nc1ncnc2n(C)c(nc12)-c1cnc(OC)c(F)c1
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| InChI |
InChI=1S/C19H22FN7O2/c1-4-14(28)27-6-5-12(9-27)24-16-15-18(23-10-22-16)26(2)17(25-15)11-7-13(20)19(29-3)21-8-11/h7-8,10,12H,4-6,9H2,1-3H3,(H,22,23,24)/t12-/m0/s1
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| InChIKey |
WWRQGEFWPVTBSK-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