General Information of the Compound
| Compound ID |
CP0448217
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| Compound Name |
(2-Bromo-4-isopropyl-phenyl)-ethyl-{4-methyl-6-[2-(1H-tetrazol-5-yl)-phenyl]-pyrimidin-2-yl}-amine
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| Structure |
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| Formula |
C23H24BrN7
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| Molecular Weight |
478.398
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| Canonical SMILES |
CCN(c1nc(C)cc(n1)-c1ccccc1-c1nnn[nH]1)c1ccc(cc1Br)C(C)C
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| InChI |
InChI=1S/C23H24BrN7/c1-5-31(21-11-10-16(14(2)3)13-19(21)24)23-25-15(4)12-20(26-23)17-8-6-7-9-18(17)22-27-29-30-28-22/h6-14H,5H2,1-4H3,(H,27,28,29,30)
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| InChIKey |
BRILMGICEBUVBO-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