General Information of the Compound
| Compound ID |
CP0505264
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| Compound Name |
(2-Bromo-4-isopropyl-phenyl)-ethyl-[4-methyl-6-(2-nitro-phenyl)-pyrimidin-2-yl]-amine
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| Structure |
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| Formula |
C22H23BrN4O2
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| Molecular Weight |
455.356
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| Canonical SMILES |
CCN(c1nc(C)cc(n1)-c1ccccc1[N+]([O-])=O)c1ccc(cc1Br)C(C)C
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| InChI |
InChI=1S/C22H23BrN4O2/c1-5-26(21-11-10-16(14(2)3)13-18(21)23)22-24-15(4)12-19(25-22)17-8-6-7-9-20(17)27(28)29/h6-14H,5H2,1-4H3
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| InChIKey |
RRRMMBTYAZUZLE-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