General Information of the Compound
| Compound ID |
CP0382993
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| Compound Name |
2-[4-chloro-3-(trifluoromethyl)phenyl]-6-(4-methylpiperazin-1-yl)-7H-purine
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| Structure |
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| Formula |
C17H16ClF3N6
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| Molecular Weight |
396.804
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| Canonical SMILES |
CN1CCN(CC1)c1nc(nc2[nH]cnc12)-c1ccc(Cl)c(c1)C(F)(F)F
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| InChI |
InChI=1S/C17H16ClF3N6/c1-26-4-6-27(7-5-26)16-13-15(23-9-22-13)24-14(25-16)10-2-3-12(18)11(8-10)17(19,20)21/h2-3,8-9H,4-7H2,1H3,(H,22,23,24,25)
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| InChIKey |
UYGDHYNWCHRCAJ-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