General Information of the Compound
| Compound ID |
CP0012084
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| Compound Name |
8-(1-ethyl-5-methylpyrazol-4-yl)-9-methyl-N-[(3S)-1-propylpyrrolidin-3-yl]purin-6-amine
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| Structure |
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| Formula |
C19H28N8
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| Molecular Weight |
368.489
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| Canonical SMILES |
CCCN1CC[C@@H](C1)Nc1ncnc2n(C)c(nc12)-c1cnn(CC)c1C
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| InChI |
InChI=1S/C19H28N8/c1-5-8-26-9-7-14(11-26)23-17-16-19(21-12-20-17)25(4)18(24-16)15-10-22-27(6-2)13(15)3/h10,12,14H,5-9,11H2,1-4H3,(H,20,21,23)/t14-/m0/s1
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| InChIKey |
NPFRPNVUOVEAIU-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