General Information of the Compound
| Compound ID |
CP0007913
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| Compound Name |
(2S)-2-[[8-(1-ethyl-5-methylpyrazol-4-yl)-9-methylpurin-6-yl]amino]-N,N-dimethylbutanamide
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| Structure |
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| Formula |
C18H26N8O
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| Molecular Weight |
370.461
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| Canonical SMILES |
CC[C@H](Nc1ncnc2n(C)c(nc12)-c1cnn(CC)c1C)C(=O)N(C)C
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| InChI |
InChI=1S/C18H26N8O/c1-7-13(18(27)24(4)5)22-15-14-17(20-10-19-15)25(6)16(23-14)12-9-21-26(8-2)11(12)3/h9-10,13H,7-8H2,1-6H3,(H,19,20,22)/t13-/m0/s1
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| InChIKey |
UJGRDBHRKZTRRJ-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