General Information of the Compound
| Compound ID |
CP0913817
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| Compound Name |
N1-(4-Chloro-3-(trifluoromethyl)phenyl)-N3-(3-(3-fluorophenyl)-1H-indazol-6-yl)malonamide
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| Structure |
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| Formula |
C23H15ClF4N4O2
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| Molecular Weight |
490.844
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| Canonical SMILES |
O=C(CC(=O)Nc1ccc2c(-c3cccc(F)c3)n[nH]c2c1)Nc1ccc(Cl)c(C(F)(F)F)c1
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| InChI |
InChI=1S/C23H15ClF4N4O2/c24-18-7-5-14(9-17(18)23(26,27)28)29-20(33)11-21(34)30-15-4-6-16-19(10-15)31-32-22(16)12-2-1-3-13(25)8-12/h1-10H,11H2,(H,29,33)(H,30,34)(H,31,32)
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| InChIKey |
FVIYMRYVBUXURQ-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