General Information of the Compound
| Compound ID |
CP0737953
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| Compound Name |
2-[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-2-(4-chlorophenyl)acetonitrile
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| Structure |
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| Formula |
C18H8ClF6N3
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| Molecular Weight |
415.724
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| Canonical SMILES |
N#CC(c1ccc(Cl)cc1)c1ccc2c(C(F)(F)F)cc(C(F)(F)F)nc2n1
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| InChI |
InChI=1S/C18H8ClF6N3/c19-10-3-1-9(2-4-10)12(8-26)14-6-5-11-13(17(20,21)22)7-15(18(23,24)25)28-16(11)27-14/h1-7,12H
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| InChIKey |
MEUVBYOWCXHDLY-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
Protein ID: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06172, Mothers against decapentaplegic homolog 3