General Information of the Compound
| Compound ID |
CP0013694
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| Compound Name |
1-[(3S)-3-[[8-(6-methoxy-5-methylpyridin-3-yl)-9-methylpurin-6-yl]amino]pyrrolidin-1-yl]propan-1-one
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| Structure |
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| Formula |
C20H25N7O2
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| Molecular Weight |
395.467
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| Canonical SMILES |
CCC(=O)N1CC[C@@H](C1)Nc1ncnc2n(C)c(nc12)-c1cnc(OC)c(C)c1
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| InChI |
InChI=1S/C20H25N7O2/c1-5-15(28)27-7-6-14(10-27)24-17-16-19(23-11-22-17)26(3)18(25-16)13-8-12(2)20(29-4)21-9-13/h8-9,11,14H,5-7,10H2,1-4H3,(H,22,23,24)/t14-/m0/s1
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| InChIKey |
QBXVPESHRNAPDT-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