General Information of the Compound
| Compound ID |
CP0408268
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| Compound Name |
5-(3-chloro-4-fluorophenyl)-4-(4-(1,4-dimethyl-1H-imidazol-5-yl)piperidin-1-yl)pyrimidine
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| Structure |
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| Formula |
C20H21ClFN5
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| Molecular Weight |
385.874
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| Canonical SMILES |
Cc1ncn(C)c1C1CCN(CC1)c1ncncc1-c1ccc(F)c(Cl)c1
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| InChI |
InChI=1S/C20H21ClFN5/c1-13-19(26(2)12-25-13)14-5-7-27(8-6-14)20-16(10-23-11-24-20)15-3-4-18(22)17(21)9-15/h3-4,9-12,14H,5-8H2,1-2H3
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| InChIKey |
VQDRZSMMROXNQK-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