General Information of the Compound
| Compound ID |
CP0402768
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| Compound Name |
9-(2-bromo-4-propan-2-ylphenyl)-N-(1-methoxypentan-3-yl)-2-methylpurin-6-amine
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| Structure |
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| Formula |
C21H28BrN5O
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| Molecular Weight |
446.393
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| Canonical SMILES |
CCC(CCOC)Nc1nc(C)nc2n(cnc12)-c1ccc(cc1Br)C(C)C
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| InChI |
InChI=1S/C21H28BrN5O/c1-6-16(9-10-28-5)26-20-19-21(25-14(4)24-20)27(12-23-19)18-8-7-15(13(2)3)11-17(18)22/h7-8,11-13,16H,6,9-10H2,1-5H3,(H,24,25,26)
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| InChIKey |
LNCULDPBYGRCCU-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