General Information of the Compound
| Compound ID |
CP0431695
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| Compound Name |
(4-Biphenyl-2-yl-6-methyl-pyrimidin-2-yl)-(2-bromo-4-isopropyl-phenyl)-ethyl-amine
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| Structure |
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| Formula |
C28H28BrN3
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| Molecular Weight |
486.457
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| Canonical SMILES |
CCN(c1nc(C)cc(n1)-c1ccccc1-c1ccccc1)c1ccc(cc1Br)C(C)C
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| InChI |
InChI=1S/C28H28BrN3/c1-5-32(27-16-15-22(19(2)3)18-25(27)29)28-30-20(4)17-26(31-28)24-14-10-9-13-23(24)21-11-7-6-8-12-21/h6-19H,5H2,1-4H3
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| InChIKey |
ZNODYVKCIZYTDY-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