General Information of the Compound
| Compound ID |
CP0528513
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| Compound Name |
N-[2-(2,4-dichlorophenyl)ethyl]-6-[3-[difluoro(2H-tetrazol-5-yl)methyl]phenyl]-2-methoxypyrimidin-4-amine
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| Structure |
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| Formula |
C21H17Cl2F2N7O
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| Molecular Weight |
492.317
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| Canonical SMILES |
COc1nc(NCCc2ccc(Cl)cc2Cl)cc(n1)-c1cccc(c1)C(F)(F)c1nnn[nH]1
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| InChI |
InChI=1S/C21H17Cl2F2N7O/c1-33-20-27-17(11-18(28-20)26-8-7-12-5-6-15(22)10-16(12)23)13-3-2-4-14(9-13)21(24,25)19-29-31-32-30-19/h2-6,9-11H,7-8H2,1H3,(H,26,27,28)(H,29,30,31,32)
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| InChIKey |
WJXFPYRZBRXTOU-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