General Information of the Compound
| Compound ID |
CP0275845
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| Compound Name |
2-N-(2-bromo-4-propan-2-ylphenyl)-2-N-ethyl-6-methyl-4-N,4-N-dipropylpyrimidine-2,4-diamine
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| Structure |
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| Formula |
C22H33BrN4
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| Molecular Weight |
433.438
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| Canonical SMILES |
CCCN(CCC)c1cc(C)nc(n1)N(CC)c1ccc(cc1Br)C(C)C
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| InChI |
InChI=1S/C22H33BrN4/c1-7-12-26(13-8-2)21-14-17(6)24-22(25-21)27(9-3)20-11-10-18(16(4)5)15-19(20)23/h10-11,14-16H,7-9,12-13H2,1-6H3
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| InChIKey |
LFJWAPUZRNOCQK-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