General Information of the Compound
| Compound ID |
CP0510026
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| Compound Name |
9-(2-bromo-4-propan-2-ylphenyl)-N-(2-methoxyethyl)-2-methylpurin-6-amine
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| Structure |
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| Formula |
C18H22BrN5O
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| Molecular Weight |
404.312
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| Canonical SMILES |
COCCNc1nc(C)nc2n(cnc12)-c1ccc(cc1Br)C(C)C
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| InChI |
InChI=1S/C18H22BrN5O/c1-11(2)13-5-6-15(14(19)9-13)24-10-21-16-17(20-7-8-25-4)22-12(3)23-18(16)24/h5-6,9-11H,7-8H2,1-4H3,(H,20,22,23)
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| InChIKey |
RRDDDWWZBHATOJ-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