General Information of the Compound
| Compound ID |
CP0061269
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| Compound Name |
2-N-[2-chloro-4-(1-methyltetrazol-5-yl)phenyl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
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| Structure |
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| Formula |
C14H12ClF3N8
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| Molecular Weight |
384.753
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| Canonical SMILES |
CNc1nc(Nc2ccc(cc2Cl)-c2nnnn2C)ncc1C(F)(F)F
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| InChI |
InChI=1S/C14H12ClF3N8/c1-19-11-8(14(16,17)18)6-20-13(22-11)21-10-4-3-7(5-9(10)15)12-23-24-25-26(12)2/h3-6H,1-2H3,(H2,19,20,21,22)
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| InChIKey |
WWSWXMYEELUOBP-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