General Information of the Compound
| Compound ID |
CP0528601
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| Compound Name |
N-methyl-N-[5-methyl-2-(3-methylbutyl)cyclohexyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
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| Structure |
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| Formula |
C19H30N4
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| Molecular Weight |
314.477
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| Canonical SMILES |
CC(C)CCC1CCC(C)CC1N(C)c1ncnc2[nH]ccc12
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| InChI |
InChI=1S/C19H30N4/c1-13(2)5-7-15-8-6-14(3)11-17(15)23(4)19-16-9-10-20-18(16)21-12-22-19/h9-10,12-15,17H,5-8,11H2,1-4H3,(H,20,21,22)
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| InChIKey |
ISWXOIDKKZRONJ-UHFFFAOYSA-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