General Information of the Compound
| Compound ID |
CP0439194
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| Compound Name |
(2-Bromo-4-isopropyl-phenyl)-[4-(2,6-dichloro-phenyl)-6-methyl-pyrimidin-2-yl]-ethyl-amine
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| Structure |
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| Formula |
C22H22BrCl2N3
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| Molecular Weight |
479.249
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| Canonical SMILES |
CCN(c1nc(C)cc(n1)-c1c(Cl)cccc1Cl)c1ccc(cc1Br)C(C)C
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| InChI |
InChI=1S/C22H22BrCl2N3/c1-5-28(20-10-9-15(13(2)3)12-16(20)23)22-26-14(4)11-19(27-22)21-17(24)7-6-8-18(21)25/h6-13H,5H2,1-4H3
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| InChIKey |
SKKSEZAMPKDBNO-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